(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide

C10H15NO2S — CID 164860198

IUPAC(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide
SMILESC=C/C=C\C(=C/C=C)S(=O)(=O)NCC
InChIInChI=1S/C10H15NO2S/c1-4-7-9-10(8-5-2)14(12,13)11-6-3/h4-5,7-9,11H,1-2,6H2,3H3/b9-7-,10-8+
InChIKeyOASYNSQUIKATES-FKJILZIQSA-N
MW213.30 g/mol
LogP1.74
Rot. Bonds6

About (3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide

(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide (PubChem CID 164860198) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide.

Molecular Properties

Compound Name(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide
PubChem CID164860198
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide
SMILESC=C/C=C\C(=C/C=C)S(=O)(=O)NCC
InChIInChI=1S/C10H15NO2S/c1-4-7-9-10(8-5-2)14(12,13)11-6-3/h4-5,7-9,11H,1-2,6H2,3H3/b9-7-,10-8+
InChIKeyOASYNSQUIKATES-FKJILZIQSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-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

2-methyl-N-(prop-2-en-1-yl)propane-2-sulfonamide
CID 64592118
(2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide
CID 89058341
N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide
CID 91254200
N-[(2Z)-4-fluoropenta-2,4-dienyl]propane-1-sulfonamide
CID 169683305
N-ethylprop-2-ene-1-sulfonamide
CID 261059
N-methylbenzenesulfonamide;yttrium
CID 59486347
N-propylprop-2-ene-1-sulfonamide
CID 79673088
(3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide
CID 88992621
(2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide
CID 89342954
N-(2-aminoethyl)hexa-1,3,5-triene-3-sulfonamide
CID 90732079
N-ethylcyclopropene-1-sulfonamide
CID 91390195
N-methylhexa-2,4-diene-3-sulfonamide
CID 91462979

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide?
The IUPAC name of (3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide (CID 164860198) is (3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide.
What is the SMILES notation for (3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide?
The canonical SMILES for (3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide is C=C/C=C\C(=C/C=C)S(=O)(=O)NCC.
What is the InChIKey of (3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide?
The InChIKey is OASYNSQUIKATES-FKJILZIQSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-7-9-10(8-5-2)14(12,13)11-6-3/h4-5,7-9,11H,1-2,6H2,3H3/b9-7-,10-8+.
What are the key properties of (3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide?
(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide is sourced from PubChem (CID 164860198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).