N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide

C13H25N3O3S — CID 39667501

IUPACN-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide
SMILESO=C1CCCCCN1CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O3S/c17-13-7-3-1-4-9-15(13)12-8-14-20(18,19)16-10-5-2-6-11-16/h14H,1-12H2
InChIKeyTZPVNQOMCIZUFR-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.71
Rot. Bonds5

About N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide

N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 39667501) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide
PubChem CID39667501
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide
SMILESO=C1CCCCCN1CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O3S/c17-13-7-3-1-4-9-15(13)12-8-14-20(18,19)16-10-5-2-6-11-16/h14H,1-12H2
InChIKeyTZPVNQOMCIZUFR-UHFFFAOYSA-N
XLogP0.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide (CID 39667501) is N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide is O=C1CCCCCN1CCNS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is TZPVNQOMCIZUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c17-13-7-3-1-4-9-15(13)12-8-14-20(18,19)16-10-5-2-6-11-16/h14H,1-12H2.
What are the key properties of N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide?
N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 39667501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).