N-cyclopentylazepane-1-sulfonamide

C11H22N2O2S — CID 31065839

IUPACN-cyclopentylazepane-1-sulfonamide
SMILESO=S(=O)(NC1CCCC1)N1CCCCCC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,12-11-7-3-4-8-11)13-9-5-1-2-6-10-13/h11-12H,1-10H2
InChIKeyLHBHYYOAEKZUQY-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.64
Rot. Bonds3

About N-cyclopentylazepane-1-sulfonamide

N-cyclopentylazepane-1-sulfonamide (PubChem CID 31065839) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-cyclopentylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopentylazepane-1-sulfonamide
PubChem CID31065839
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-cyclopentylazepane-1-sulfonamide
SMILESO=S(=O)(NC1CCCC1)N1CCCCCC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,12-11-7-3-4-8-11)13-9-5-1-2-6-10-13/h11-12H,1-10H2
InChIKeyLHBHYYOAEKZUQY-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentylazepane-1-sulfonamide?
The IUPAC name of N-cyclopentylazepane-1-sulfonamide (CID 31065839) is N-cyclopentylazepane-1-sulfonamide.
What is the SMILES notation for N-cyclopentylazepane-1-sulfonamide?
The canonical SMILES for N-cyclopentylazepane-1-sulfonamide is O=S(=O)(NC1CCCC1)N1CCCCCC1.
What is the InChIKey of N-cyclopentylazepane-1-sulfonamide?
The InChIKey is LHBHYYOAEKZUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c14-16(15,12-11-7-3-4-8-11)13-9-5-1-2-6-10-13/h11-12H,1-10H2.
What are the key properties of N-cyclopentylazepane-1-sulfonamide?
N-cyclopentylazepane-1-sulfonamide has a molecular weight of 246.38 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylazepane-1-sulfonamide is sourced from PubChem (CID 31065839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).