1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide

C15H20N2O3S — CID 2920725

IUPAC1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O3S/c1-2-10-16-15(18)13-8-11-17(12-9-13)21(19,20)14-6-4-3-5-7-14/h2-7,13H,1,8-12H2,(H,16,18)
InChIKeyGGIKUIZISTVUFV-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.39
Rot. Bonds5

About 1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide

1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 2920725) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID2920725
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O3S/c1-2-10-16-15(18)13-8-11-17(12-9-13)21(19,20)14-6-4-3-5-7-14/h2-7,13H,1,8-12H2,(H,16,18)
InChIKeyGGIKUIZISTVUFV-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.39
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-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide (CID 2920725) is 1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is GGIKUIZISTVUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-10-16-15(18)13-8-11-17(12-9-13)21(19,20)14-6-4-3-5-7-14/h2-7,13H,1,8-12H2,(H,16,18).
What are the key properties of 1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide?
1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 2920725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).