N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide

C14H20N2O2S — CID 69427809

IUPACN-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2C3CCC2CNC3)c1
InChIInChI=1S/C14H20N2O2S/c1-19(17,18)16-13-4-2-3-10(7-13)14-11-5-6-12(14)9-15-8-11/h2-4,7,11-12,14-16H,5-6,8-9H2,1H3
InChIKeyLCCNVKORNXWPBG-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.77
Rot. Bonds3

About N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide

N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide (PubChem CID 69427809) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide
PubChem CID69427809
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2C3CCC2CNC3)c1
InChIInChI=1S/C14H20N2O2S/c1-19(17,18)16-13-4-2-3-10(7-13)14-11-5-6-12(14)9-15-8-11/h2-4,7,11-12,14-16H,5-6,8-9H2,1H3
InChIKeyLCCNVKORNXWPBG-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide
CID 117353751
8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
CID 84673420
N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
CID 61310120
N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide
CID 102671165
N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
CID 22139930
N-(4-piperidin-4-ylphenyl)methanesulfonamide
CID 117389477
N-[3-[(3,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64732200
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64776794
N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
CID 43131792
N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide
CID 174269520
tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate
CID 174864057

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide (CID 69427809) is N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C2C3CCC2CNC3)c1.
What is the InChIKey of N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide?
The InChIKey is LCCNVKORNXWPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19(17,18)16-13-4-2-3-10(7-13)14-11-5-6-12(14)9-15-8-11/h2-4,7,11-12,14-16H,5-6,8-9H2,1H3.
What are the key properties of N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide?
N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 69427809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).