(Z)-1-amino-3-methylbut-1-ene-2-thiol

C5H11NS — CID 144711047

IUPAC(Z)-1-amino-3-methylbut-1-ene-2-thiol
SMILESCC(C)/C(S)=C/N
InChIInChI=1S/C5H11NS/c1-4(2)5(7)3-6/h3-4,7H,6H2,1-2H3/b5-3-
InChIKeyWIJXSQSWWKFLLL-HYXAFXHYSA-N
MW117.22 g/mol
LogP1.37
Rot. Bonds1

About (Z)-1-amino-3-methylbut-1-ene-2-thiol

(Z)-1-amino-3-methylbut-1-ene-2-thiol (PubChem CID 144711047) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (Z)-1-amino-3-methylbut-1-ene-2-thiol.

Molecular Properties

Compound Name(Z)-1-amino-3-methylbut-1-ene-2-thiol
PubChem CID144711047
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(Z)-1-amino-3-methylbut-1-ene-2-thiol
SMILESCC(C)/C(S)=C/N
InChIInChI=1S/C5H11NS/c1-4(2)5(7)3-6/h3-4,7H,6H2,1-2H3/b5-3-
InChIKeyWIJXSQSWWKFLLL-HYXAFXHYSA-N
XLogP1.37
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (Z)-1-amino-3-methylbut-1-ene-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 (Z)-1-amino-3-methylbut-1-ene-2-thiol?
The IUPAC name of (Z)-1-amino-3-methylbut-1-ene-2-thiol (CID 144711047) is (Z)-1-amino-3-methylbut-1-ene-2-thiol.
What is the SMILES notation for (Z)-1-amino-3-methylbut-1-ene-2-thiol?
The canonical SMILES for (Z)-1-amino-3-methylbut-1-ene-2-thiol is CC(C)/C(S)=C/N.
What is the InChIKey of (Z)-1-amino-3-methylbut-1-ene-2-thiol?
The InChIKey is WIJXSQSWWKFLLL-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H11NS/c1-4(2)5(7)3-6/h3-4,7H,6H2,1-2H3/b5-3-.
What are the key properties of (Z)-1-amino-3-methylbut-1-ene-2-thiol?
(Z)-1-amino-3-methylbut-1-ene-2-thiol has a molecular weight of 117.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-amino-3-methylbut-1-ene-2-thiol is sourced from PubChem (CID 144711047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).