N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide

C16H31N3O2S — CID 56739579

IUPACN-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCC/C=C(\C)CN1CCCC(CNS(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C16H31N3O2S/c1-3-7-15(2)13-18-9-6-8-16(14-18)12-17-22(20,21)19-10-4-5-11-19/h7,16-17H,3-6,8-14H2,1-2H3/b15-7+
InChIKeyVWLHZFFMKVNMFO-VIZOYTHASA-N
MW329.51 g/mol
LogP1.98
Rot. Bonds7

About N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide

N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 56739579) has the molecular formula C16H31N3O2S and a molecular weight of 329.51 g/mol. Its IUPAC name is N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID56739579
Molecular FormulaC16H31N3O2S
Molecular Weight329.51 g/mol
Exact Mass329.21
IUPAC NameN-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCC/C=C(\C)CN1CCCC(CNS(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C16H31N3O2S/c1-3-7-15(2)13-18-9-6-8-16(14-18)12-17-22(20,21)19-10-4-5-11-19/h7,16-17H,3-6,8-14H2,1-2H3/b15-7+
InChIKeyVWLHZFFMKVNMFO-VIZOYTHASA-N
XLogP1.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-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 N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide (CID 56739579) is N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide is CC/C=C(\C)CN1CCCC(CNS(=O)(=O)N2CCCC2)C1.
What is the InChIKey of N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is VWLHZFFMKVNMFO-VIZOYTHASA-N. The full InChI is InChI=1S/C16H31N3O2S/c1-3-7-15(2)13-18-9-6-8-16(14-18)12-17-22(20,21)19-10-4-5-11-19/h7,16-17H,3-6,8-14H2,1-2H3/b15-7+.
What are the key properties of N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide?
N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 329.51 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 56739579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).