N-penta-2,4-dien-2-ylpropane-1-sulfonamide

C8H15NO2S — CID 123696250

IUPACN-penta-2,4-dien-2-ylpropane-1-sulfonamide
SMILESC=CC=C(C)NS(=O)(=O)CCC
InChIInChI=1S/C8H15NO2S/c1-4-6-8(3)9-12(10,11)7-5-2/h4,6,9H,1,5,7H2,2-3H3
InChIKeyJPRVBZKUFHSENS-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.41
Rot. Bonds5

About N-penta-2,4-dien-2-ylpropane-1-sulfonamide

N-penta-2,4-dien-2-ylpropane-1-sulfonamide (PubChem CID 123696250) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-penta-2,4-dien-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-penta-2,4-dien-2-ylpropane-1-sulfonamide
PubChem CID123696250
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-penta-2,4-dien-2-ylpropane-1-sulfonamide
SMILESC=CC=C(C)NS(=O)(=O)CCC
InChIInChI=1S/C8H15NO2S/c1-4-6-8(3)9-12(10,11)7-5-2/h4,6,9H,1,5,7H2,2-3H3
InChIKeyJPRVBZKUFHSENS-UHFFFAOYSA-N
XLogP1.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-penta-2,4-dien-2-ylpropane-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

Related Compounds

N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide
CID 123850341
N-cyclohexa-1,5-dien-1-ylethanesulfonamide
CID 22261328
N-prop-1-en-2-ylethanesulfonamide
CID 59105490
(3E,5E)-6-aminohepta-1,3,5-triene-4-sulfonic acid
CID 88558498
3-ethyl-2H-thiazine 1,1-dioxide
CID 89007432
(2Z,4E)-4-aminohexa-2,4-diene-1-sulfonamide
CID 89034900
N-[(3E)-penta-1,3-dien-3-yl]propane-2-sulfinamide
CID 89073773
(2Z,4E)-5-aminohexa-2,4-diene-1-sulfonamide
CID 89125923
(2E,4Z,6E)-6-amino-2-methylocta-2,4,6-triene-1-sulfonamide
CID 89234606
3-methyl-2H-thiazine 1,1-dioxide
CID 89687642
N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide
CID 90061350
(2Z)-4-aminopenta-2,4-diene-1-sulfonic acid
CID 90346906

Frequently Asked Questions

What is the IUPAC name of N-penta-2,4-dien-2-ylpropane-1-sulfonamide?
The IUPAC name of N-penta-2,4-dien-2-ylpropane-1-sulfonamide (CID 123696250) is N-penta-2,4-dien-2-ylpropane-1-sulfonamide.
What is the SMILES notation for N-penta-2,4-dien-2-ylpropane-1-sulfonamide?
The canonical SMILES for N-penta-2,4-dien-2-ylpropane-1-sulfonamide is C=CC=C(C)NS(=O)(=O)CCC.
What is the InChIKey of N-penta-2,4-dien-2-ylpropane-1-sulfonamide?
The InChIKey is JPRVBZKUFHSENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-4-6-8(3)9-12(10,11)7-5-2/h4,6,9H,1,5,7H2,2-3H3.
What are the key properties of N-penta-2,4-dien-2-ylpropane-1-sulfonamide?
N-penta-2,4-dien-2-ylpropane-1-sulfonamide has a molecular weight of 189.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-2,4-dien-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 123696250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).