(2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine

C14H25NO2S — CID 126636993

IUPAC(2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C/C)CN(C)CCC)S(=O)(=O)CC
InChIInChI=1S/C14H25NO2S/c1-6-11-15(5)12-14(7-2)10-9-13(4)18(16,17)8-3/h7,9-10H,4,6,8,11-12H2,1-3,5H3/b10-9-,14-7+
InChIKeyKWRWUEBPPZRSNQ-YNGKKNEWSA-N
MW271.43 g/mol
LogP2.78
Rot. Bonds8

About (2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine

(2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine (PubChem CID 126636993) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine
PubChem CID126636993
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name(2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C/C)CN(C)CCC)S(=O)(=O)CC
InChIInChI=1S/C14H25NO2S/c1-6-11-15(5)12-14(7-2)10-9-13(4)18(16,17)8-3/h7,9-10H,4,6,8,11-12H2,1-3,5H3/b10-9-,14-7+
InChIKeyKWRWUEBPPZRSNQ-YNGKKNEWSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine?
The IUPAC name of (2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine (CID 126636993) is (2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine is C=C(/C=C\C(=C/C)CN(C)CCC)S(=O)(=O)CC.
What is the InChIKey of (2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine?
The InChIKey is KWRWUEBPPZRSNQ-YNGKKNEWSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-6-11-15(5)12-14(7-2)10-9-13(4)18(16,17)8-3/h7,9-10H,4,6,8,11-12H2,1-3,5H3/b10-9-,14-7+.
What are the key properties of (2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine?
(2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine has a molecular weight of 271.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine is sourced from PubChem (CID 126636993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).