N-methylprop-2-enethioamide

C4H7NS — CID 12739328

IUPACN-methylprop-2-enethioamide
SMILESC=CC(=S)NC
InChIInChI=1S/C4H7NS/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)
InChIKeyAIEVEPHXLRLSEY-UHFFFAOYSA-N
MW101.17 g/mol
LogP0.72
Rot. Bonds1

About N-methylprop-2-enethioamide

N-methylprop-2-enethioamide (PubChem CID 12739328) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is N-methylprop-2-enethioamide.

Molecular Properties

Compound NameN-methylprop-2-enethioamide
PubChem CID12739328
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC NameN-methylprop-2-enethioamide
SMILESC=CC(=S)NC
InChIInChI=1S/C4H7NS/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)
InChIKeyAIEVEPHXLRLSEY-UHFFFAOYSA-N
XLogP0.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylprop-2-enethioamide?
The IUPAC name of N-methylprop-2-enethioamide (CID 12739328) is N-methylprop-2-enethioamide.
What is the SMILES notation for N-methylprop-2-enethioamide?
The canonical SMILES for N-methylprop-2-enethioamide is C=CC(=S)NC.
What is the InChIKey of N-methylprop-2-enethioamide?
The InChIKey is AIEVEPHXLRLSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6).
What are the key properties of N-methylprop-2-enethioamide?
N-methylprop-2-enethioamide has a molecular weight of 101.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-enethioamide is sourced from PubChem (CID 12739328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).