N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride

C11H23ClN2O2S — CID 86811732

IUPACN-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N(C1CCC1)C1CCCNCC1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-16(14,15)13(10-4-2-5-10)11-6-3-8-12-9-7-11;/h10-12H,2-9H2,1H3;1H
InChIKeyLYSURLLWZJIBPZ-UHFFFAOYSA-N
MW282.84 g/mol
LogP1.36
Rot. Bonds3

About N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride

N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride (PubChem CID 86811732) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride
PubChem CID86811732
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC NameN-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N(C1CCC1)C1CCCNCC1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-16(14,15)13(10-4-2-5-10)11-6-3-8-12-9-7-11;/h10-12H,2-9H2,1H3;1H
InChIKeyLYSURLLWZJIBPZ-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride (CID 86811732) is N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride is CS(=O)(=O)N(C1CCC1)C1CCCNCC1.Cl.
What is the InChIKey of N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride?
The InChIKey is LYSURLLWZJIBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S.ClH/c1-16(14,15)13(10-4-2-5-10)11-6-3-8-12-9-7-11;/h10-12H,2-9H2,1H3;1H.
What are the key properties of N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride?
N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride has a molecular weight of 282.84 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 86811732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).