2-(prop-1-enylamino)propane-2-thiol

C6H13NS — CID 151965910

IUPAC2-(prop-1-enylamino)propane-2-thiol
SMILESCC=CNC(C)(C)S
InChIInChI=1S/C6H13NS/c1-4-5-7-6(2,3)8/h4-5,7-8H,1-3H3
InChIKeyTZQPVZNFACFPEP-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.78
Rot. Bonds2

About 2-(prop-1-enylamino)propane-2-thiol

2-(prop-1-enylamino)propane-2-thiol (PubChem CID 151965910) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2-(prop-1-enylamino)propane-2-thiol.

Molecular Properties

Compound Name2-(prop-1-enylamino)propane-2-thiol
PubChem CID151965910
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2-(prop-1-enylamino)propane-2-thiol
SMILESCC=CNC(C)(C)S
InChIInChI=1S/C6H13NS/c1-4-5-7-6(2,3)8/h4-5,7-8H,1-3H3
InChIKeyTZQPVZNFACFPEP-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.78
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': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(prop-1-enylamino)propane-2-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-(prop-1-enylamino)propane-2-thiol?
The IUPAC name of 2-(prop-1-enylamino)propane-2-thiol (CID 151965910) is 2-(prop-1-enylamino)propane-2-thiol.
What is the SMILES notation for 2-(prop-1-enylamino)propane-2-thiol?
The canonical SMILES for 2-(prop-1-enylamino)propane-2-thiol is CC=CNC(C)(C)S.
What is the InChIKey of 2-(prop-1-enylamino)propane-2-thiol?
The InChIKey is TZQPVZNFACFPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-5-7-6(2,3)8/h4-5,7-8H,1-3H3.
What are the key properties of 2-(prop-1-enylamino)propane-2-thiol?
2-(prop-1-enylamino)propane-2-thiol has a molecular weight of 131.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-enylamino)propane-2-thiol is sourced from PubChem (CID 151965910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).