(E)-3-methylsulfonylprop-2-enamide

C4H7NO3S — CID 55285479

IUPAC(E)-3-methylsulfonylprop-2-enamide
SMILESCS(=O)(=O)/C=C/C(N)=O
InChIInChI=1S/C4H7NO3S/c1-9(7,8)3-2-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+
InChIKeyQBBRNRXHCGORMK-NSCUHMNNSA-N
MW149.17 g/mol
LogP-0.97
Rot. Bonds2

About (E)-3-methylsulfonylprop-2-enamide

(E)-3-methylsulfonylprop-2-enamide (PubChem CID 55285479) has the molecular formula C4H7NO3S and a molecular weight of 149.17 g/mol. Its IUPAC name is (E)-3-methylsulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-methylsulfonylprop-2-enamide
PubChem CID55285479
Molecular FormulaC4H7NO3S
Molecular Weight149.17 g/mol
Exact Mass149.01
IUPAC Name(E)-3-methylsulfonylprop-2-enamide
SMILESCS(=O)(=O)/C=C/C(N)=O
InChIInChI=1S/C4H7NO3S/c1-9(7,8)3-2-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+
InChIKeyQBBRNRXHCGORMK-NSCUHMNNSA-N
XLogP-0.97
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 5-0.97
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)-3-methylsulfonylprop-2-enamide?
The IUPAC name of (E)-3-methylsulfonylprop-2-enamide (CID 55285479) is (E)-3-methylsulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-methylsulfonylprop-2-enamide?
The canonical SMILES for (E)-3-methylsulfonylprop-2-enamide is CS(=O)(=O)/C=C/C(N)=O.
What is the InChIKey of (E)-3-methylsulfonylprop-2-enamide?
The InChIKey is QBBRNRXHCGORMK-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H7NO3S/c1-9(7,8)3-2-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+.
What are the key properties of (E)-3-methylsulfonylprop-2-enamide?
(E)-3-methylsulfonylprop-2-enamide has a molecular weight of 149.17 g/mol, XLogP of -0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylsulfonylprop-2-enamide is sourced from PubChem (CID 55285479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).