(2E,4E)-6-methylsulfonylhexa-2,4-dienamide

C7H11NO3S — CID 173389998

IUPAC(2E,4E)-6-methylsulfonylhexa-2,4-dienamide
SMILESCS(=O)(=O)C/C=C/C=C/C(N)=O
InChIInChI=1S/C7H11NO3S/c1-12(10,11)6-4-2-3-5-7(8)9/h2-5H,6H2,1H3,(H2,8,9)/b4-2+,5-3+
InChIKeyJVZCFTYNOIZABT-ZUVMSYQZSA-N
MW189.24 g/mol
LogP-0.37
Rot. Bonds4

About (2E,4E)-6-methylsulfonylhexa-2,4-dienamide

(2E,4E)-6-methylsulfonylhexa-2,4-dienamide (PubChem CID 173389998) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is (2E,4E)-6-methylsulfonylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-6-methylsulfonylhexa-2,4-dienamide
PubChem CID173389998
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name(2E,4E)-6-methylsulfonylhexa-2,4-dienamide
SMILESCS(=O)(=O)C/C=C/C=C/C(N)=O
InChIInChI=1S/C7H11NO3S/c1-12(10,11)6-4-2-3-5-7(8)9/h2-5H,6H2,1H3,(H2,8,9)/b4-2+,5-3+
InChIKeyJVZCFTYNOIZABT-ZUVMSYQZSA-N
XLogP-0.37
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-methylsulfonylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-6-methylsulfonylhexa-2,4-dienamide (CID 173389998) is (2E,4E)-6-methylsulfonylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-6-methylsulfonylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-6-methylsulfonylhexa-2,4-dienamide is CS(=O)(=O)C/C=C/C=C/C(N)=O.
What is the InChIKey of (2E,4E)-6-methylsulfonylhexa-2,4-dienamide?
The InChIKey is JVZCFTYNOIZABT-ZUVMSYQZSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-12(10,11)6-4-2-3-5-7(8)9/h2-5H,6H2,1H3,(H2,8,9)/b4-2+,5-3+.
What are the key properties of (2E,4E)-6-methylsulfonylhexa-2,4-dienamide?
(2E,4E)-6-methylsulfonylhexa-2,4-dienamide has a molecular weight of 189.24 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-methylsulfonylhexa-2,4-dienamide is sourced from PubChem (CID 173389998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).