2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide

C11H22N2O2S — CID 115628787

IUPAC2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H22N2O2S/c1-3-4-6-9-12-16(14,15)13-10-7-5-8-11(13)2/h3-4,11-12H,5-10H2,1-2H3/b4-3+
InChIKeyPLCDRFBYBLFFSQ-ONEGZZNKSA-N
MW246.38 g/mol
LogP1.66
Rot. Bonds5

About 2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide

2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide (PubChem CID 115628787) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide
PubChem CID115628787
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H22N2O2S/c1-3-4-6-9-12-16(14,15)13-10-7-5-8-11(13)2/h3-4,11-12H,5-10H2,1-2H3/b4-3+
InChIKeyPLCDRFBYBLFFSQ-ONEGZZNKSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide 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 2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide?
The IUPAC name of 2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide (CID 115628787) is 2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide is C/C=C/CCNS(=O)(=O)N1CCCCC1C.
What is the InChIKey of 2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide?
The InChIKey is PLCDRFBYBLFFSQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-4-6-9-12-16(14,15)13-10-7-5-8-11(13)2/h3-4,11-12H,5-10H2,1-2H3/b4-3+.
What are the key properties of 2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide?
2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide has a molecular weight of 246.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide is sourced from PubChem (CID 115628787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).