N-[3-[8-hydroxy-3-(thiophen-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-methoxyethanesulfonamide

Update Time: 2025-04-25 16:31:57

	Common Name	N-[3-[8-hydroxy-3-(thiophen-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-methoxyethanesulfonamide	English Name	N-[3-[8-hydroxy-3-(thiophen-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-methoxyethanesulfonamide
	CAS NO.	N/A	Molecular Weight	436.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₂₈N₂O₄S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[3-[8-hydroxy-3-(thiophen-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-methoxyethanesulfonamide

Molecular Formula	C21H28N2O4S2
Molecular Weight	436.6
Exact Mass	436.14904973
LogP	1.70
Standard SMILES	COCCS(=O)(=O)Nc1cccc(C2(O)C3CCC2CN(Cc2ccsc2)C3)c1
Canonical SMILES	COCCS(=O)(=O)NC1=CC=CC(=C1)C2(C3CCC2CN(C3)CC4=CSC=C4)O
Isomeric SMILES	COCCS(=O)(=O)NC1=CC=CC(=C1)C2(C3CCC2CN(C3)CC4=CSC=C4)O
Standard InChI Identifier	InChI=1S/C21H28N2O4S2/c1-27-8-10-29(25,26)22-20-4-2-3-17(11-20)21(24)18-5-6-19(21)14-23(13-18)12-16-7-9-28-15-16/h2-4,7,9,11,15,18-19,22,24H,5-6,8,10,12-14H2,1H3
Standard InChI Key	NSLNJHNLBGLZDD-UHFFFAOYSA-N
Compound Complexity	640.00
computational chemistry	Hydrogen Bond Acceptor Count：7 Hydrogen Bond Donor Count：2 Rotatable Bond Count：8 Heavy Atom Count：29 Total Chiral Atom Count：2 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：2 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：436.14904973