2-methyl-1-(methylamino)prop-2-ene-1-thiol

C5H11NS — CID 138664347

IUPAC2-methyl-1-(methylamino)prop-2-ene-1-thiol
SMILESC=C(C)C(S)NC
InChIInChI=1S/C5H11NS/c1-4(2)5(7)6-3/h5-7H,1H2,2-3H3
InChIKeyAWCNSCDZBKOCKH-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.04
Rot. Bonds2

About 2-methyl-1-(methylamino)prop-2-ene-1-thiol

2-methyl-1-(methylamino)prop-2-ene-1-thiol (PubChem CID 138664347) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-methyl-1-(methylamino)prop-2-ene-1-thiol
PubChem CID138664347
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-methyl-1-(methylamino)prop-2-ene-1-thiol
SMILESC=C(C)C(S)NC
InChIInChI=1S/C5H11NS/c1-4(2)5(7)6-3/h5-7H,1H2,2-3H3
InChIKeyAWCNSCDZBKOCKH-UHFFFAOYSA-N
XLogP1.04
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-methyl-1-(methylamino)prop-2-ene-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylamino)prop-2-ene-1-thiol?
The IUPAC name of 2-methyl-1-(methylamino)prop-2-ene-1-thiol (CID 138664347) is 2-methyl-1-(methylamino)prop-2-ene-1-thiol.
What is the SMILES notation for 2-methyl-1-(methylamino)prop-2-ene-1-thiol?
The canonical SMILES for 2-methyl-1-(methylamino)prop-2-ene-1-thiol is C=C(C)C(S)NC.
What is the InChIKey of 2-methyl-1-(methylamino)prop-2-ene-1-thiol?
The InChIKey is AWCNSCDZBKOCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-4(2)5(7)6-3/h5-7H,1H2,2-3H3.
What are the key properties of 2-methyl-1-(methylamino)prop-2-ene-1-thiol?
2-methyl-1-(methylamino)prop-2-ene-1-thiol has a molecular weight of 117.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)prop-2-ene-1-thiol is sourced from PubChem (CID 138664347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).