(E)-4-amino-N-methylsulfonylbut-2-enamide

C5H10N2O3S — CID 130533357

IUPAC(E)-4-amino-N-methylsulfonylbut-2-enamide
SMILESCS(=O)(=O)NC(=O)/C=C/CN
InChIInChI=1S/C5H10N2O3S/c1-11(9,10)7-5(8)3-2-4-6/h2-3H,4,6H2,1H3,(H,7,8)/b3-2+
InChIKeyFPSOQQZLLPLBKC-NSCUHMNNSA-N
MW178.21 g/mol
LogP-1.42
Rot. Bonds3

About (E)-4-amino-N-methylsulfonylbut-2-enamide

(E)-4-amino-N-methylsulfonylbut-2-enamide (PubChem CID 130533357) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is (E)-4-amino-N-methylsulfonylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-N-methylsulfonylbut-2-enamide
PubChem CID130533357
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name(E)-4-amino-N-methylsulfonylbut-2-enamide
SMILESCS(=O)(=O)NC(=O)/C=C/CN
InChIInChI=1S/C5H10N2O3S/c1-11(9,10)7-5(8)3-2-4-6/h2-3H,4,6H2,1H3,(H,7,8)/b3-2+
InChIKeyFPSOQQZLLPLBKC-NSCUHMNNSA-N
XLogP-1.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-amino-N-methylsulfonylbut-2-enamide?
The IUPAC name of (E)-4-amino-N-methylsulfonylbut-2-enamide (CID 130533357) is (E)-4-amino-N-methylsulfonylbut-2-enamide.
What is the SMILES notation for (E)-4-amino-N-methylsulfonylbut-2-enamide?
The canonical SMILES for (E)-4-amino-N-methylsulfonylbut-2-enamide is CS(=O)(=O)NC(=O)/C=C/CN.
What is the InChIKey of (E)-4-amino-N-methylsulfonylbut-2-enamide?
The InChIKey is FPSOQQZLLPLBKC-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-11(9,10)7-5(8)3-2-4-6/h2-3H,4,6H2,1H3,(H,7,8)/b3-2+.
What are the key properties of (E)-4-amino-N-methylsulfonylbut-2-enamide?
(E)-4-amino-N-methylsulfonylbut-2-enamide has a molecular weight of 178.21 g/mol, XLogP of -1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N-methylsulfonylbut-2-enamide is sourced from PubChem (CID 130533357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).