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

C6H11NOS — CID 55287288

IUPAC(Z)-N-ethyl-3-methylsulfanylprop-2-enamide
SMILESCCNC(=O)/C=C\SC
InChIInChI=1S/C6H11NOS/c1-3-7-6(8)4-5-9-2/h4-5H,3H2,1-2H3,(H,7,8)/b5-4-
InChIKeyJTMXIMIOZNVWLK-PLNGDYQASA-N
MW145.23 g/mol
LogP1.00
Rot. Bonds3

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

(Z)-N-ethyl-3-methylsulfanylprop-2-enamide (PubChem CID 55287288) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is (Z)-N-ethyl-3-methylsulfanylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-3-methylsulfanylprop-2-enamide
PubChem CID55287288
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name(Z)-N-ethyl-3-methylsulfanylprop-2-enamide
SMILESCCNC(=O)/C=C\SC
InChIInChI=1S/C6H11NOS/c1-3-7-6(8)4-5-9-2/h4-5H,3H2,1-2H3,(H,7,8)/b5-4-
InChIKeyJTMXIMIOZNVWLK-PLNGDYQASA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-N-ethyl-3-methylsulfanylprop-2-enamide?
The IUPAC name of (Z)-N-ethyl-3-methylsulfanylprop-2-enamide (CID 55287288) is (Z)-N-ethyl-3-methylsulfanylprop-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-3-methylsulfanylprop-2-enamide?
The canonical SMILES for (Z)-N-ethyl-3-methylsulfanylprop-2-enamide is CCNC(=O)/C=C\SC.
What is the InChIKey of (Z)-N-ethyl-3-methylsulfanylprop-2-enamide?
The InChIKey is JTMXIMIOZNVWLK-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NOS/c1-3-7-6(8)4-5-9-2/h4-5H,3H2,1-2H3,(H,7,8)/b5-4-.
What are the key properties of (Z)-N-ethyl-3-methylsulfanylprop-2-enamide?
(Z)-N-ethyl-3-methylsulfanylprop-2-enamide has a molecular weight of 145.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3-methylsulfanylprop-2-enamide is sourced from PubChem (CID 55287288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).