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

C10H20N2O2S — CID 115628813

IUPACN-[(E)-pent-3-enyl]piperidine-1-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H20N2O2S/c1-2-3-5-8-11-15(13,14)12-9-6-4-7-10-12/h2-3,11H,4-10H2,1H3/b3-2+
InChIKeyIFWIXVWQRSMZFQ-NSCUHMNNSA-N
MW232.35 g/mol
LogP1.27
Rot. Bonds5

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

N-[(E)-pent-3-enyl]piperidine-1-sulfonamide (PubChem CID 115628813) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]piperidine-1-sulfonamide
PubChem CID115628813
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[(E)-pent-3-enyl]piperidine-1-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H20N2O2S/c1-2-3-5-8-11-15(13,14)12-9-6-4-7-10-12/h2-3,11H,4-10H2,1H3/b3-2+
InChIKeyIFWIXVWQRSMZFQ-NSCUHMNNSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.27
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]piperidine-1-sulfonamide?
The IUPAC name of N-[(E)-pent-3-enyl]piperidine-1-sulfonamide (CID 115628813) is N-[(E)-pent-3-enyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[(E)-pent-3-enyl]piperidine-1-sulfonamide is C/C=C/CCNS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(E)-pent-3-enyl]piperidine-1-sulfonamide?
The InChIKey is IFWIXVWQRSMZFQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-2-3-5-8-11-15(13,14)12-9-6-4-7-10-12/h2-3,11H,4-10H2,1H3/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]piperidine-1-sulfonamide?
N-[(E)-pent-3-enyl]piperidine-1-sulfonamide has a molecular weight of 232.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]piperidine-1-sulfonamide is sourced from PubChem (CID 115628813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).