N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide

C13H26N2O2S — CID 63244711

IUPACN-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)C2CCNCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-11-2-4-12(5-3-11)10-15-18(16,17)13-6-8-14-9-7-13/h11-15H,2-10H2,1H3
InChIKeyXRGHVDJWRFUSNR-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.48
Rot. Bonds4

About N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide

N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide (PubChem CID 63244711) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide
PubChem CID63244711
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)C2CCNCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-11-2-4-12(5-3-11)10-15-18(16,17)13-6-8-14-9-7-13/h11-15H,2-10H2,1H3
InChIKeyXRGHVDJWRFUSNR-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylcyclohexyl)methyl]piperidine-4-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-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide (CID 63244711) is N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide is CC1CCC(CNS(=O)(=O)C2CCNCC2)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide?
The InChIKey is XRGHVDJWRFUSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-11-2-4-12(5-3-11)10-15-18(16,17)13-6-8-14-9-7-13/h11-15H,2-10H2,1H3.
What are the key properties of N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide?
N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide is sourced from PubChem (CID 63244711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).