1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide

C10H18N2O3S — CID 3242535

IUPAC1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H18N2O3S/c1-3-6-11-10(13)9-5-4-7-12(8-9)16(2,14)15/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyJUNPCYAYTGWJNU-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.04
Rot. Bonds4

About 1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide

1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 3242535) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID3242535
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H18N2O3S/c1-3-6-11-10(13)9-5-4-7-12(8-9)16(2,14)15/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyJUNPCYAYTGWJNU-UHFFFAOYSA-N
XLogP-0.04
TPSA66.48 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 ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide (CID 3242535) is 1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is JUNPCYAYTGWJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-6-11-10(13)9-5-4-7-12(8-9)16(2,14)15/h3,9H,1,4-8H2,2H3,(H,11,13).
What are the key properties of 1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide?
1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 246.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 3242535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).