(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide

C11H19NO2S — CID 139304214

IUPAC(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide
SMILESC/C=C\C=C(CC)/C(=C\C)S(=O)(=O)NC
InChIInChI=1S/C11H19NO2S/c1-5-8-9-10(6-2)11(7-3)15(13,14)12-4/h5,7-9,12H,6H2,1-4H3/b8-5-,10-9-,11-7+
InChIKeyIYTCBQYAHVHWCB-DORUCHGBSA-N
MW229.34 g/mol
LogP2.35
Rot. Bonds5

About (2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide

(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide (PubChem CID 139304214) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is (2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide.

Molecular Properties

Compound Name(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide
PubChem CID139304214
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide
SMILESC/C=C\C=C(CC)/C(=C\C)S(=O)(=O)NC
InChIInChI=1S/C11H19NO2S/c1-5-8-9-10(6-2)11(7-3)15(13,14)12-4/h5,7-9,12H,6H2,1-4H3/b8-5-,10-9-,11-7+
InChIKeyIYTCBQYAHVHWCB-DORUCHGBSA-N
XLogP2.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-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

4-ethyl-3-fluoroocta-2,4,6-triene
CID 123568888
ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol
CID 144690491
(4E,6Z)-4-ethenylocta-4,6-dien-3-one;N-methylmethanamine
CID 143337723
N-methylhepta-1,3,5-triene-4-sulfonamide
CID 123396879
(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
CID 55298161
(2E)-2-[(E)-but-2-enylidene]butanedioic acid
CID 87666227
ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine
CID 164902460
(5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one
CID 89267675
2-propylhexa-2,4-dieneperoxoic acid
CID 173280763
(3Z,5E,6E,8Z)-6-ethyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 177369316
ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide
CID 145294280
(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide?
The IUPAC name of (2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide (CID 139304214) is (2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide.
What is the SMILES notation for (2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide?
The canonical SMILES for (2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide is C/C=C\C=C(CC)/C(=C\C)S(=O)(=O)NC.
What is the InChIKey of (2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide?
The InChIKey is IYTCBQYAHVHWCB-DORUCHGBSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-5-8-9-10(6-2)11(7-3)15(13,14)12-4/h5,7-9,12H,6H2,1-4H3/b8-5-,10-9-,11-7+.
What are the key properties of (2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide?
(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide has a molecular weight of 229.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide is sourced from PubChem (CID 139304214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).