(E)-N-methyl-3-sulfanylprop-2-enamide

C4H7NOS — CID 15139922

IUPAC(E)-N-methyl-3-sulfanylprop-2-enamide
SMILESCNC(=O)/C=C/S
InChIInChI=1S/C4H7NOS/c1-5-4(6)2-3-7/h2-3,7H,1H3,(H,5,6)/b3-2+
InChIKeyBYVOHKLWUDZCNW-NSCUHMNNSA-N
MW117.17 g/mol
LogP0.18
Rot. Bonds1

About (E)-N-methyl-3-sulfanylprop-2-enamide

(E)-N-methyl-3-sulfanylprop-2-enamide (PubChem CID 15139922) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is (E)-N-methyl-3-sulfanylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-sulfanylprop-2-enamide
PubChem CID15139922
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name(E)-N-methyl-3-sulfanylprop-2-enamide
SMILESCNC(=O)/C=C/S
InChIInChI=1S/C4H7NOS/c1-5-4(6)2-3-7/h2-3,7H,1H3,(H,5,6)/b3-2+
InChIKeyBYVOHKLWUDZCNW-NSCUHMNNSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-sulfanylprop-2-enamide?
The IUPAC name of (E)-N-methyl-3-sulfanylprop-2-enamide (CID 15139922) is (E)-N-methyl-3-sulfanylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-sulfanylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-sulfanylprop-2-enamide is CNC(=O)/C=C/S.
What is the InChIKey of (E)-N-methyl-3-sulfanylprop-2-enamide?
The InChIKey is BYVOHKLWUDZCNW-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H7NOS/c1-5-4(6)2-3-7/h2-3,7H,1H3,(H,5,6)/b3-2+.
What are the key properties of (E)-N-methyl-3-sulfanylprop-2-enamide?
(E)-N-methyl-3-sulfanylprop-2-enamide has a molecular weight of 117.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-sulfanylprop-2-enamide is sourced from PubChem (CID 15139922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).