5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide

C11H19NO2S — CID 123183916

IUPAC5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide
SMILESC=CC(=CC=C(C)S(=O)(=O)N(C)C)CC
InChIInChI=1S/C11H19NO2S/c1-6-11(7-2)9-8-10(3)15(13,14)12(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyLWVAIGJTLUOXCU-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.30
Rot. Bonds5

About 5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide

5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide (PubChem CID 123183916) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide
PubChem CID123183916
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide
SMILESC=CC(=CC=C(C)S(=O)(=O)N(C)C)CC
InChIInChI=1S/C11H19NO2S/c1-6-11(7-2)9-8-10(3)15(13,14)12(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyLWVAIGJTLUOXCU-UHFFFAOYSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-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-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
CID 123417701
lithium N,N-diethyl-4-methylbenzene-6-ide-1-sulfonamide
CID 135071354
N-butyl-N,4-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 71010443
N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide
CID 90721165
N-butyl-N-methylhepta-2,4-diene-3-sulfonamide
CID 91617053
(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide
CID 139304214
1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide
CID 139681155
N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide
CID 140368077
N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane
CID 142029980
N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide
CID 142050898
(3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide
CID 142083432
ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide
CID 142196482

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide?
The IUPAC name of 5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide (CID 123183916) is 5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide is C=CC(=CC=C(C)S(=O)(=O)N(C)C)CC.
What is the InChIKey of 5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide?
The InChIKey is LWVAIGJTLUOXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-6-11(7-2)9-8-10(3)15(13,14)12(4)5/h6,8-9H,1,7H2,2-5H3.
What are the key properties of 5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide?
5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide has a molecular weight of 229.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide is sourced from PubChem (CID 123183916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).