N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide

C16H24N2O2S — CID 11109622

IUPACN-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide
SMILESC=CCC(Cc1ccccc1)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-2-9-16(14-15-10-5-3-6-11-15)17-21(19,20)18-12-7-4-8-13-18/h2-3,5-6,10-11,16-17H,1,4,7-9,12-14H2
InChIKeyJJRIJFGBPQGACY-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.49
Rot. Bonds7

About N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide

N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide (PubChem CID 11109622) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide
PubChem CID11109622
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide
SMILESC=CCC(Cc1ccccc1)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-2-9-16(14-15-10-5-3-6-11-15)17-21(19,20)18-12-7-4-8-13-18/h2-3,5-6,10-11,16-17H,1,4,7-9,12-14H2
InChIKeyJJRIJFGBPQGACY-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide?
The IUPAC name of N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide (CID 11109622) is N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide is C=CCC(Cc1ccccc1)NS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide?
The InChIKey is JJRIJFGBPQGACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-9-16(14-15-10-5-3-6-11-15)17-21(19,20)18-12-7-4-8-13-18/h2-3,5-6,10-11,16-17H,1,4,7-9,12-14H2.
What are the key properties of N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide?
N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 11109622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).