N-methyl-3-methylsulfanylprop-2-enamide

C5H9NOS — CID 85085266

IUPACN-methyl-3-methylsulfanylprop-2-enamide
SMILESCNC(=O)C=CSC
InChIInChI=1S/C5H9NOS/c1-6-5(7)3-4-8-2/h3-4H,1-2H3,(H,6,7)
InChIKeyVRYCXSSOSLPIDH-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.61
Rot. Bonds2

About N-methyl-3-methylsulfanylprop-2-enamide

N-methyl-3-methylsulfanylprop-2-enamide (PubChem CID 85085266) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is N-methyl-3-methylsulfanylprop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfanylprop-2-enamide
PubChem CID85085266
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC NameN-methyl-3-methylsulfanylprop-2-enamide
SMILESCNC(=O)C=CSC
InChIInChI=1S/C5H9NOS/c1-6-5(7)3-4-8-2/h3-4H,1-2H3,(H,6,7)
InChIKeyVRYCXSSOSLPIDH-UHFFFAOYSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.61
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 N-methyl-3-methylsulfanylprop-2-enamide?
The IUPAC name of N-methyl-3-methylsulfanylprop-2-enamide (CID 85085266) is N-methyl-3-methylsulfanylprop-2-enamide.
What is the SMILES notation for N-methyl-3-methylsulfanylprop-2-enamide?
The canonical SMILES for N-methyl-3-methylsulfanylprop-2-enamide is CNC(=O)C=CSC.
What is the InChIKey of N-methyl-3-methylsulfanylprop-2-enamide?
The InChIKey is VRYCXSSOSLPIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-6-5(7)3-4-8-2/h3-4H,1-2H3,(H,6,7).
What are the key properties of N-methyl-3-methylsulfanylprop-2-enamide?
N-methyl-3-methylsulfanylprop-2-enamide has a molecular weight of 131.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanylprop-2-enamide is sourced from PubChem (CID 85085266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).