N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide

C13H27N3O2S — CID 43523487

IUPACN-(1-piperidin-4-ylethyl)azepane-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCCC1)C1CCNCC1
InChIInChI=1S/C13H27N3O2S/c1-12(13-6-8-14-9-7-13)15-19(17,18)16-10-4-2-3-5-11-16/h12-15H,2-11H2,1H3
InChIKeyFQGACOYNQHXLKH-UHFFFAOYSA-N
MW289.45 g/mol
LogP1.08
Rot. Bonds4

About N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide

N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide (PubChem CID 43523487) has the molecular formula C13H27N3O2S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-piperidin-4-ylethyl)azepane-1-sulfonamide
PubChem CID43523487
Molecular FormulaC13H27N3O2S
Molecular Weight289.45 g/mol
Exact Mass289.18
IUPAC NameN-(1-piperidin-4-ylethyl)azepane-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCCC1)C1CCNCC1
InChIInChI=1S/C13H27N3O2S/c1-12(13-6-8-14-9-7-13)15-19(17,18)16-10-4-2-3-5-11-16/h12-15H,2-11H2,1H3
InChIKeyFQGACOYNQHXLKH-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide?
The IUPAC name of N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide (CID 43523487) is N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide is CC(NS(=O)(=O)N1CCCCCC1)C1CCNCC1.
What is the InChIKey of N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide?
The InChIKey is FQGACOYNQHXLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-12(13-6-8-14-9-7-13)15-19(17,18)16-10-4-2-3-5-11-16/h12-15H,2-11H2,1H3.
What are the key properties of N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide?
N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide has a molecular weight of 289.45 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide is sourced from PubChem (CID 43523487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).