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

C5H9NOS — CID 18632875

IUPAC(Z)-N-ethyl-3-sulfanylprop-2-enamide
SMILESCCNC(=O)/C=C\S
InChIInChI=1S/C5H9NOS/c1-2-6-5(7)3-4-8/h3-4,8H,2H2,1H3,(H,6,7)/b4-3-
InChIKeyLKSNTYSBYQNFSF-ARJAWSKDSA-N
MW131.20 g/mol
LogP0.57
Rot. Bonds2

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

(Z)-N-ethyl-3-sulfanylprop-2-enamide (PubChem CID 18632875) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (Z)-N-ethyl-3-sulfanylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-3-sulfanylprop-2-enamide
PubChem CID18632875
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(Z)-N-ethyl-3-sulfanylprop-2-enamide
SMILESCCNC(=O)/C=C\S
InChIInChI=1S/C5H9NOS/c1-2-6-5(7)3-4-8/h3-4,8H,2H2,1H3,(H,6,7)/b4-3-
InChIKeyLKSNTYSBYQNFSF-ARJAWSKDSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.57
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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Related Compounds

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(Z)-N-methyl-3-methylsulfanylprop-2-enamide
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CID 15139922
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Acrylylcystamine
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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-3-sulfanylprop-2-enamide?
The IUPAC name of (Z)-N-ethyl-3-sulfanylprop-2-enamide (CID 18632875) is (Z)-N-ethyl-3-sulfanylprop-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-3-sulfanylprop-2-enamide?
The canonical SMILES for (Z)-N-ethyl-3-sulfanylprop-2-enamide is CCNC(=O)/C=C\S.
What is the InChIKey of (Z)-N-ethyl-3-sulfanylprop-2-enamide?
The InChIKey is LKSNTYSBYQNFSF-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9NOS/c1-2-6-5(7)3-4-8/h3-4,8H,2H2,1H3,(H,6,7)/b4-3-.
What are the key properties of (Z)-N-ethyl-3-sulfanylprop-2-enamide?
(Z)-N-ethyl-3-sulfanylprop-2-enamide has a molecular weight of 131.20 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3-sulfanylprop-2-enamide is sourced from PubChem (CID 18632875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).