1-pent-4-enoylpiperidine-3-sulfonamide

C10H18N2O3S — CID 62678372

IUPAC1-pent-4-enoylpiperidine-3-sulfonamide
SMILESC=CCCC(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C10H18N2O3S/c1-2-3-6-10(13)12-7-4-5-9(8-12)16(11,14)15/h2,9H,1,3-8H2,(H2,11,14,15)
InChIKeyDBCFNCXZZIIVOH-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.23
Rot. Bonds4

About 1-pent-4-enoylpiperidine-3-sulfonamide

1-pent-4-enoylpiperidine-3-sulfonamide (PubChem CID 62678372) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-pent-4-enoylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-pent-4-enoylpiperidine-3-sulfonamide
PubChem CID62678372
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-pent-4-enoylpiperidine-3-sulfonamide
SMILESC=CCCC(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C10H18N2O3S/c1-2-3-6-10(13)12-7-4-5-9(8-12)16(11,14)15/h2,9H,1,3-8H2,(H2,11,14,15)
InChIKeyDBCFNCXZZIIVOH-UHFFFAOYSA-N
XLogP0.23
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.23
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-pent-4-enoylpiperidine-3-sulfonamide?
The IUPAC name of 1-pent-4-enoylpiperidine-3-sulfonamide (CID 62678372) is 1-pent-4-enoylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-pent-4-enoylpiperidine-3-sulfonamide?
The canonical SMILES for 1-pent-4-enoylpiperidine-3-sulfonamide is C=CCCC(=O)N1CCCC(S(N)(=O)=O)C1.
What is the InChIKey of 1-pent-4-enoylpiperidine-3-sulfonamide?
The InChIKey is DBCFNCXZZIIVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-3-6-10(13)12-7-4-5-9(8-12)16(11,14)15/h2,9H,1,3-8H2,(H2,11,14,15).
What are the key properties of 1-pent-4-enoylpiperidine-3-sulfonamide?
1-pent-4-enoylpiperidine-3-sulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enoylpiperidine-3-sulfonamide is sourced from PubChem (CID 62678372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).