2-prop-2-enylsulfanylpropan-1-amine

C6H13NS — CID 58684237

IUPAC2-prop-2-enylsulfanylpropan-1-amine
SMILESC=CCSC(C)CN
InChIInChI=1S/C6H13NS/c1-3-4-8-6(2)5-7/h3,6H,1,4-5,7H2,2H3
InChIKeyWKZXQMQDNKPEGI-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.25
Rot. Bonds4

About 2-prop-2-enylsulfanylpropan-1-amine

2-prop-2-enylsulfanylpropan-1-amine (PubChem CID 58684237) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2-prop-2-enylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-prop-2-enylsulfanylpropan-1-amine
PubChem CID58684237
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2-prop-2-enylsulfanylpropan-1-amine
SMILESC=CCSC(C)CN
InChIInChI=1S/C6H13NS/c1-3-4-8-6(2)5-7/h3,6H,1,4-5,7H2,2H3
InChIKeyWKZXQMQDNKPEGI-UHFFFAOYSA-N
XLogP1.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanylpropan-1-amine?
The IUPAC name of 2-prop-2-enylsulfanylpropan-1-amine (CID 58684237) is 2-prop-2-enylsulfanylpropan-1-amine.
What is the SMILES notation for 2-prop-2-enylsulfanylpropan-1-amine?
The canonical SMILES for 2-prop-2-enylsulfanylpropan-1-amine is C=CCSC(C)CN.
What is the InChIKey of 2-prop-2-enylsulfanylpropan-1-amine?
The InChIKey is WKZXQMQDNKPEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-3-4-8-6(2)5-7/h3,6H,1,4-5,7H2,2H3.
What are the key properties of 2-prop-2-enylsulfanylpropan-1-amine?
2-prop-2-enylsulfanylpropan-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanylpropan-1-amine is sourced from PubChem (CID 58684237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).