(E)-4-methyl-N-methylsulfonylpent-2-enamide

C7H13NO3S — CID 89042289

IUPAC(E)-4-methyl-N-methylsulfonylpent-2-enamide
SMILESCC(C)/C=C/C(=O)NS(C)(=O)=O
InChIInChI=1S/C7H13NO3S/c1-6(2)4-5-7(9)8-12(3,10)11/h4-6H,1-3H3,(H,8,9)/b5-4+
InChIKeyIEMLDRJVXIKYKU-SNAWJCMRSA-N
MW191.25 g/mol
LogP0.27
Rot. Bonds3

About (E)-4-methyl-N-methylsulfonylpent-2-enamide

(E)-4-methyl-N-methylsulfonylpent-2-enamide (PubChem CID 89042289) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is (E)-4-methyl-N-methylsulfonylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-methylsulfonylpent-2-enamide
PubChem CID89042289
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name(E)-4-methyl-N-methylsulfonylpent-2-enamide
SMILESCC(C)/C=C/C(=O)NS(C)(=O)=O
InChIInChI=1S/C7H13NO3S/c1-6(2)4-5-7(9)8-12(3,10)11/h4-6H,1-3H3,(H,8,9)/b5-4+
InChIKeyIEMLDRJVXIKYKU-SNAWJCMRSA-N
XLogP0.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-methylsulfonylpent-2-enamide?
The IUPAC name of (E)-4-methyl-N-methylsulfonylpent-2-enamide (CID 89042289) is (E)-4-methyl-N-methylsulfonylpent-2-enamide.
What is the SMILES notation for (E)-4-methyl-N-methylsulfonylpent-2-enamide?
The canonical SMILES for (E)-4-methyl-N-methylsulfonylpent-2-enamide is CC(C)/C=C/C(=O)NS(C)(=O)=O.
What is the InChIKey of (E)-4-methyl-N-methylsulfonylpent-2-enamide?
The InChIKey is IEMLDRJVXIKYKU-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-6(2)4-5-7(9)8-12(3,10)11/h4-6H,1-3H3,(H,8,9)/b5-4+.
What are the key properties of (E)-4-methyl-N-methylsulfonylpent-2-enamide?
(E)-4-methyl-N-methylsulfonylpent-2-enamide has a molecular weight of 191.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-methylsulfonylpent-2-enamide is sourced from PubChem (CID 89042289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).