(Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide

C6H12N2OS — CID 138474209

IUPAC(Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide
SMILESCCNC(=O)/C(=C/S)NC
InChIInChI=1S/C6H12N2OS/c1-3-8-6(9)5(4-10)7-2/h4,7,10H,3H2,1-2H3,(H,8,9)/b5-4-
InChIKeySOBWNGPACBKQFI-PLNGDYQASA-N
MW160.24 g/mol
LogP0.11
Rot. Bonds3

About (Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide

(Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide (PubChem CID 138474209) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is (Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide
PubChem CID138474209
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name(Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide
SMILESCCNC(=O)/C(=C/S)NC
InChIInChI=1S/C6H12N2OS/c1-3-8-6(9)5(4-10)7-2/h4,7,10H,3H2,1-2H3,(H,8,9)/b5-4-
InChIKeySOBWNGPACBKQFI-PLNGDYQASA-N
XLogP0.11
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide?
The IUPAC name of (Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide (CID 138474209) is (Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide?
The canonical SMILES for (Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide is CCNC(=O)/C(=C/S)NC.
What is the InChIKey of (Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide?
The InChIKey is SOBWNGPACBKQFI-PLNGDYQASA-N. The full InChI is InChI=1S/C6H12N2OS/c1-3-8-6(9)5(4-10)7-2/h4,7,10H,3H2,1-2H3,(H,8,9)/b5-4-.
What are the key properties of (Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide?
(Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide has a molecular weight of 160.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide is sourced from PubChem (CID 138474209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).