N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide

C6H12N2S — CID 134334155

IUPACN-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide
SMILESC=C(CN(C)C=S)NC
InChIInChI=1S/C6H12N2S/c1-6(7-2)4-8(3)5-9/h5,7H,1,4H2,2-3H3
InChIKeyWSFFXJJMHNWZBT-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.61
Rot. Bonds4

About N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide

N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide (PubChem CID 134334155) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide
PubChem CID134334155
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC NameN-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide
SMILESC=C(CN(C)C=S)NC
InChIInChI=1S/C6H12N2S/c1-6(7-2)4-8(3)5-9/h5,7H,1,4H2,2-3H3
InChIKeyWSFFXJJMHNWZBT-UHFFFAOYSA-N
XLogP0.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide?
The IUPAC name of N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide (CID 134334155) is N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide is C=C(CN(C)C=S)NC.
What is the InChIKey of N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide?
The InChIKey is WSFFXJJMHNWZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-6(7-2)4-8(3)5-9/h5,7H,1,4H2,2-3H3.
What are the key properties of N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide?
N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide has a molecular weight of 144.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide is sourced from PubChem (CID 134334155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).