(E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide

C13H15NO3S — CID 10754170

IUPAC(E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C)C(=O)/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15NO3S/c1-3-10-14(2)13(15)9-11-18(16,17)12-7-5-4-6-8-12/h3-9,11H,1,10H2,2H3/b11-9+
InChIKeyKHCREQDSJOSWQY-PKNBQFBNSA-N
MW265.33 g/mol
LogP1.62
Rot. Bonds5

About (E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide

(E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide (PubChem CID 10754170) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is (E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide
PubChem CID10754170
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name(E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C)C(=O)/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15NO3S/c1-3-10-14(2)13(15)9-11-18(16,17)12-7-5-4-6-8-12/h3-9,11H,1,10H2,2H3/b11-9+
InChIKeyKHCREQDSJOSWQY-PKNBQFBNSA-N
XLogP1.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide (CID 10754170) is (E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide is C=CCN(C)C(=O)/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide?
The InChIKey is KHCREQDSJOSWQY-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-3-10-14(2)13(15)9-11-18(16,17)12-7-5-4-6-8-12/h3-9,11H,1,10H2,2H3/b11-9+.
What are the key properties of (E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide?
(E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide has a molecular weight of 265.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(benzenesulfonyl)-N-methyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 10754170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).