N-cyclopent-3-en-1-ylpropane-2-sulfonamide

C8H15NO2S — CID 115695684

IUPACN-cyclopent-3-en-1-ylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC=CC1
InChIInChI=1S/C8H15NO2S/c1-7(2)12(10,11)9-8-5-3-4-6-8/h3-4,7-9H,5-6H2,1-2H3
InChIKeyWPMFDVOURPQVPQ-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.03
Rot. Bonds3

About N-cyclopent-3-en-1-ylpropane-2-sulfonamide

N-cyclopent-3-en-1-ylpropane-2-sulfonamide (PubChem CID 115695684) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-cyclopent-3-en-1-ylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-ylpropane-2-sulfonamide
PubChem CID115695684
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-cyclopent-3-en-1-ylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC=CC1
InChIInChI=1S/C8H15NO2S/c1-7(2)12(10,11)9-8-5-3-4-6-8/h3-4,7-9H,5-6H2,1-2H3
InChIKeyWPMFDVOURPQVPQ-UHFFFAOYSA-N
XLogP1.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.03
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-cyclopent-3-en-1-ylpropane-2-sulfonamide?
The IUPAC name of N-cyclopent-3-en-1-ylpropane-2-sulfonamide (CID 115695684) is N-cyclopent-3-en-1-ylpropane-2-sulfonamide.
What is the SMILES notation for N-cyclopent-3-en-1-ylpropane-2-sulfonamide?
The canonical SMILES for N-cyclopent-3-en-1-ylpropane-2-sulfonamide is CC(C)S(=O)(=O)NC1CC=CC1.
What is the InChIKey of N-cyclopent-3-en-1-ylpropane-2-sulfonamide?
The InChIKey is WPMFDVOURPQVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-7(2)12(10,11)9-8-5-3-4-6-8/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of N-cyclopent-3-en-1-ylpropane-2-sulfonamide?
N-cyclopent-3-en-1-ylpropane-2-sulfonamide has a molecular weight of 189.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-ylpropane-2-sulfonamide is sourced from PubChem (CID 115695684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).