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

C6H13NS — CID 10898753

IUPAC1-(prop-2-enylamino)propane-2-thiol
SMILESC=CCNCC(C)S
InChIInChI=1S/C6H13NS/c1-3-4-7-5-6(2)8/h3,6-8H,1,4-5H2,2H3
InChIKeyJWFXUWPEKJSVKW-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.08
Rot. Bonds4

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

1-(prop-2-enylamino)propane-2-thiol (PubChem CID 10898753) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 1-(prop-2-enylamino)propane-2-thiol.

Molecular Properties

Compound Name1-(prop-2-enylamino)propane-2-thiol
PubChem CID10898753
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name1-(prop-2-enylamino)propane-2-thiol
SMILESC=CCNCC(C)S
InChIInChI=1S/C6H13NS/c1-3-4-7-5-6(2)8/h3,6-8H,1,4-5H2,2H3
InChIKeyJWFXUWPEKJSVKW-UHFFFAOYSA-N
XLogP1.08
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylamino)propane-2-thiol?
The IUPAC name of 1-(prop-2-enylamino)propane-2-thiol (CID 10898753) is 1-(prop-2-enylamino)propane-2-thiol.
What is the SMILES notation for 1-(prop-2-enylamino)propane-2-thiol?
The canonical SMILES for 1-(prop-2-enylamino)propane-2-thiol is C=CCNCC(C)S.
What is the InChIKey of 1-(prop-2-enylamino)propane-2-thiol?
The InChIKey is JWFXUWPEKJSVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-3-4-7-5-6(2)8/h3,6-8H,1,4-5H2,2H3.
What are the key properties of 1-(prop-2-enylamino)propane-2-thiol?
1-(prop-2-enylamino)propane-2-thiol has a molecular weight of 131.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)propane-2-thiol is sourced from PubChem (CID 10898753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).