N-(5-methylhexyl)azepane-1-sulfonamide

C13H28N2O2S — CID 167070520

IUPACN-(5-methylhexyl)azepane-1-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H28N2O2S/c1-13(2)9-5-6-10-14-18(16,17)15-11-7-3-4-8-12-15/h13-14H,3-12H2,1-2H3
InChIKeyRZOBEAGNBZDQCJ-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.52
Rot. Bonds7

About N-(5-methylhexyl)azepane-1-sulfonamide

N-(5-methylhexyl)azepane-1-sulfonamide (PubChem CID 167070520) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(5-methylhexyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-methylhexyl)azepane-1-sulfonamide
PubChem CID167070520
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(5-methylhexyl)azepane-1-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H28N2O2S/c1-13(2)9-5-6-10-14-18(16,17)15-11-7-3-4-8-12-15/h13-14H,3-12H2,1-2H3
InChIKeyRZOBEAGNBZDQCJ-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-methylhexyl)azepane-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 N-(5-methylhexyl)azepane-1-sulfonamide?
The IUPAC name of N-(5-methylhexyl)azepane-1-sulfonamide (CID 167070520) is N-(5-methylhexyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(5-methylhexyl)azepane-1-sulfonamide?
The canonical SMILES for N-(5-methylhexyl)azepane-1-sulfonamide is CC(C)CCCCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(5-methylhexyl)azepane-1-sulfonamide?
The InChIKey is RZOBEAGNBZDQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-13(2)9-5-6-10-14-18(16,17)15-11-7-3-4-8-12-15/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(5-methylhexyl)azepane-1-sulfonamide?
N-(5-methylhexyl)azepane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)azepane-1-sulfonamide is sourced from PubChem (CID 167070520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).