N-(cycloheptylmethyl)propane-2-sulfonamide

C11H23NO2S — CID 57118217

IUPACN-(cycloheptylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCCCCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)15(13,14)12-9-11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3
InChIKeyIYIHFSQKGRSQJE-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.28
Rot. Bonds4

About N-(cycloheptylmethyl)propane-2-sulfonamide

N-(cycloheptylmethyl)propane-2-sulfonamide (PubChem CID 57118217) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(cycloheptylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(cycloheptylmethyl)propane-2-sulfonamide
PubChem CID57118217
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(cycloheptylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCCCCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)15(13,14)12-9-11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3
InChIKeyIYIHFSQKGRSQJE-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cycloheptylmethyl)propane-2-sulfonamide 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 N-(cycloheptylmethyl)propane-2-sulfonamide?
The IUPAC name of N-(cycloheptylmethyl)propane-2-sulfonamide (CID 57118217) is N-(cycloheptylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(cycloheptylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-(cycloheptylmethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCCCCC1.
What is the InChIKey of N-(cycloheptylmethyl)propane-2-sulfonamide?
The InChIKey is IYIHFSQKGRSQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)15(13,14)12-9-11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(cycloheptylmethyl)propane-2-sulfonamide?
N-(cycloheptylmethyl)propane-2-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 57118217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).