[2-(benzenesulfonyl)cycloheptyl]methanamine

C14H21NO2S — CID 64698780

IUPAC[2-(benzenesulfonyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO2S/c15-11-12-7-3-1-6-10-14(12)18(16,17)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,1,3,6-7,10-11,15H2
InChIKeyXUKZNCNOWHVCGP-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.37
Rot. Bonds3

About [2-(benzenesulfonyl)cycloheptyl]methanamine

[2-(benzenesulfonyl)cycloheptyl]methanamine (PubChem CID 64698780) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is [2-(benzenesulfonyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(benzenesulfonyl)cycloheptyl]methanamine
PubChem CID64698780
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name[2-(benzenesulfonyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO2S/c15-11-12-7-3-1-6-10-14(12)18(16,17)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,1,3,6-7,10-11,15H2
InChIKeyXUKZNCNOWHVCGP-UHFFFAOYSA-N
XLogP2.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(benzenesulfonyl)cycloheptyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)cycloheptyl]methanamine?
The IUPAC name of [2-(benzenesulfonyl)cycloheptyl]methanamine (CID 64698780) is [2-(benzenesulfonyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(benzenesulfonyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(benzenesulfonyl)cycloheptyl]methanamine is NCC1CCCCCC1S(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonyl)cycloheptyl]methanamine?
The InChIKey is XUKZNCNOWHVCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c15-11-12-7-3-1-6-10-14(12)18(16,17)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,1,3,6-7,10-11,15H2.
What are the key properties of [2-(benzenesulfonyl)cycloheptyl]methanamine?
[2-(benzenesulfonyl)cycloheptyl]methanamine has a molecular weight of 267.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)cycloheptyl]methanamine is sourced from PubChem (CID 64698780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).