1-but-3-enoylpiperidine-3-sulfonamide

C9H16N2O3S — CID 62678371

IUPAC1-but-3-enoylpiperidine-3-sulfonamide
SMILESC=CCC(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C9H16N2O3S/c1-2-4-9(12)11-6-3-5-8(7-11)15(10,13)14/h2,8H,1,3-7H2,(H2,10,13,14)
InChIKeyOXHJDQCHNKCLCA-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.16
Rot. Bonds3

About 1-but-3-enoylpiperidine-3-sulfonamide

1-but-3-enoylpiperidine-3-sulfonamide (PubChem CID 62678371) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-but-3-enoylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-but-3-enoylpiperidine-3-sulfonamide
PubChem CID62678371
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1-but-3-enoylpiperidine-3-sulfonamide
SMILESC=CCC(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C9H16N2O3S/c1-2-4-9(12)11-6-3-5-8(7-11)15(10,13)14/h2,8H,1,3-7H2,(H2,10,13,14)
InChIKeyOXHJDQCHNKCLCA-UHFFFAOYSA-N
XLogP-0.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoylpiperidine-3-sulfonamide?
The IUPAC name of 1-but-3-enoylpiperidine-3-sulfonamide (CID 62678371) is 1-but-3-enoylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-but-3-enoylpiperidine-3-sulfonamide?
The canonical SMILES for 1-but-3-enoylpiperidine-3-sulfonamide is C=CCC(=O)N1CCCC(S(N)(=O)=O)C1.
What is the InChIKey of 1-but-3-enoylpiperidine-3-sulfonamide?
The InChIKey is OXHJDQCHNKCLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-2-4-9(12)11-6-3-5-8(7-11)15(10,13)14/h2,8H,1,3-7H2,(H2,10,13,14).
What are the key properties of 1-but-3-enoylpiperidine-3-sulfonamide?
1-but-3-enoylpiperidine-3-sulfonamide has a molecular weight of 232.30 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoylpiperidine-3-sulfonamide is sourced from PubChem (CID 62678371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).