N-(3-cyclohexylpropyl)azepane-1-sulfonamide

C15H30N2O2S — CID 71896285

IUPACN-(3-cyclohexylpropyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCCCC1CCCCC1)N1CCCCCC1
InChIInChI=1S/C15H30N2O2S/c18-20(19,17-13-6-1-2-7-14-17)16-12-8-11-15-9-4-3-5-10-15/h15-16H,1-14H2
InChIKeyLWZKCSQRWIUXML-UHFFFAOYSA-N
MW302.48 g/mol
LogP3.06
Rot. Bonds6

About N-(3-cyclohexylpropyl)azepane-1-sulfonamide

N-(3-cyclohexylpropyl)azepane-1-sulfonamide (PubChem CID 71896285) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)azepane-1-sulfonamide
PubChem CID71896285
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-(3-cyclohexylpropyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCCCC1CCCCC1)N1CCCCCC1
InChIInChI=1S/C15H30N2O2S/c18-20(19,17-13-6-1-2-7-14-17)16-12-8-11-15-9-4-3-5-10-15/h15-16H,1-14H2
InChIKeyLWZKCSQRWIUXML-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpropyl)azepane-1-sulfonamide?
The IUPAC name of N-(3-cyclohexylpropyl)azepane-1-sulfonamide (CID 71896285) is N-(3-cyclohexylpropyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(3-cyclohexylpropyl)azepane-1-sulfonamide?
The canonical SMILES for N-(3-cyclohexylpropyl)azepane-1-sulfonamide is O=S(=O)(NCCCC1CCCCC1)N1CCCCCC1.
What is the InChIKey of N-(3-cyclohexylpropyl)azepane-1-sulfonamide?
The InChIKey is LWZKCSQRWIUXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c18-20(19,17-13-6-1-2-7-14-17)16-12-8-11-15-9-4-3-5-10-15/h15-16H,1-14H2.
What are the key properties of N-(3-cyclohexylpropyl)azepane-1-sulfonamide?
N-(3-cyclohexylpropyl)azepane-1-sulfonamide has a molecular weight of 302.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)azepane-1-sulfonamide is sourced from PubChem (CID 71896285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).