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

C11H22N2O2S — CID 86811733

IUPACN-(azepan-4-yl)-N-cyclobutylmethanesulfonamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCNCC1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13(10-4-2-5-10)11-6-3-8-12-9-7-11/h10-12H,2-9H2,1H3
InChIKeyYEMRXLSTXYFRJL-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.94
Rot. Bonds3

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

N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide (PubChem CID 86811733) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-cyclobutylmethanesulfonamide
PubChem CID86811733
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(azepan-4-yl)-N-cyclobutylmethanesulfonamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCNCC1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13(10-4-2-5-10)11-6-3-8-12-9-7-11/h10-12H,2-9H2,1H3
InChIKeyYEMRXLSTXYFRJL-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.94
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?
The IUPAC name of N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide (CID 86811733) is N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide.
What is the SMILES notation for N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide?
The canonical SMILES for N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide is CS(=O)(=O)N(C1CCC1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide?
The InChIKey is YEMRXLSTXYFRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-16(14,15)13(10-4-2-5-10)11-6-3-8-12-9-7-11/h10-12H,2-9H2,1H3.
What are the key properties of N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide?
N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.94, 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 is sourced from PubChem (CID 86811733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).