1-acetylpiperidine-3-sulfonamide

C7H14N2O3S — CID 54593303

IUPAC1-acetylpiperidine-3-sulfonamide
SMILESCC(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C7H14N2O3S/c1-6(10)9-4-2-3-7(5-9)13(8,11)12/h7H,2-5H2,1H3,(H2,8,11,12)
InChIKeyQHQVFFVEDABANP-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.71
Rot. Bonds1

About 1-acetylpiperidine-3-sulfonamide

1-acetylpiperidine-3-sulfonamide (PubChem CID 54593303) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-acetylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-acetylpiperidine-3-sulfonamide
PubChem CID54593303
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name1-acetylpiperidine-3-sulfonamide
SMILESCC(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C7H14N2O3S/c1-6(10)9-4-2-3-7(5-9)13(8,11)12/h7H,2-5H2,1H3,(H2,8,11,12)
InChIKeyQHQVFFVEDABANP-UHFFFAOYSA-N
XLogP-0.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetylpiperidine-3-sulfonamide?
The IUPAC name of 1-acetylpiperidine-3-sulfonamide (CID 54593303) is 1-acetylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-acetylpiperidine-3-sulfonamide?
The canonical SMILES for 1-acetylpiperidine-3-sulfonamide is CC(=O)N1CCCC(S(N)(=O)=O)C1.
What is the InChIKey of 1-acetylpiperidine-3-sulfonamide?
The InChIKey is QHQVFFVEDABANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-6(10)9-4-2-3-7(5-9)13(8,11)12/h7H,2-5H2,1H3,(H2,8,11,12).
What are the key properties of 1-acetylpiperidine-3-sulfonamide?
1-acetylpiperidine-3-sulfonamide has a molecular weight of 206.27 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpiperidine-3-sulfonamide is sourced from PubChem (CID 54593303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).