6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide

C13H28N2O2S — CID 70992464

IUPAC6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide
SMILESNCCCCCCS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C13H28N2O2S/c14-10-6-1-2-7-11-18(16,17)15-12-13-8-4-3-5-9-13/h13,15H,1-12,14H2
InChIKeyCXJICQNUHCRSLZ-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.01
Rot. Bonds9

About 6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide

6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide (PubChem CID 70992464) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide
PubChem CID70992464
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide
SMILESNCCCCCCS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C13H28N2O2S/c14-10-6-1-2-7-11-18(16,17)15-12-13-8-4-3-5-9-13/h13,15H,1-12,14H2
InChIKeyCXJICQNUHCRSLZ-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-amino-N-(cyclohexylmethyl)hexane-1-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 6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide?
The IUPAC name of 6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide (CID 70992464) is 6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide.
What is the SMILES notation for 6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide?
The canonical SMILES for 6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide is NCCCCCCS(=O)(=O)NCC1CCCCC1.
What is the InChIKey of 6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide?
The InChIKey is CXJICQNUHCRSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c14-10-6-1-2-7-11-18(16,17)15-12-13-8-4-3-5-9-13/h13,15H,1-12,14H2.
What are the key properties of 6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide?
6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(cyclohexylmethyl)hexane-1-sulfonamide is sourced from PubChem (CID 70992464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).