N-(6-aminohexyl)methanesulfonamide

C7H18N2O2S — CID 14484867

IUPACN-(6-aminohexyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCN
InChIInChI=1S/C7H18N2O2S/c1-12(10,11)9-7-5-3-2-4-6-8/h9H,2-8H2,1H3
InChIKeyBETXAVQKYPPAKQ-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.05
Rot. Bonds7

About N-(6-aminohexyl)methanesulfonamide

N-(6-aminohexyl)methanesulfonamide (PubChem CID 14484867) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-(6-aminohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)methanesulfonamide
PubChem CID14484867
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-(6-aminohexyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCN
InChIInChI=1S/C7H18N2O2S/c1-12(10,11)9-7-5-3-2-4-6-8/h9H,2-8H2,1H3
InChIKeyBETXAVQKYPPAKQ-UHFFFAOYSA-N
XLogP0.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-aminohexyl)methanesulfonamide 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-(6-aminohexyl)methanesulfonamide?
The IUPAC name of N-(6-aminohexyl)methanesulfonamide (CID 14484867) is N-(6-aminohexyl)methanesulfonamide.
What is the SMILES notation for N-(6-aminohexyl)methanesulfonamide?
The canonical SMILES for N-(6-aminohexyl)methanesulfonamide is CS(=O)(=O)NCCCCCCN.
What is the InChIKey of N-(6-aminohexyl)methanesulfonamide?
The InChIKey is BETXAVQKYPPAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-12(10,11)9-7-5-3-2-4-6-8/h9H,2-8H2,1H3.
What are the key properties of N-(6-aminohexyl)methanesulfonamide?
N-(6-aminohexyl)methanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)methanesulfonamide is sourced from PubChem (CID 14484867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).