1-ethenylsulfanylprop-2-en-1-amine

C5H9NS — CID 87208996

IUPAC1-ethenylsulfanylprop-2-en-1-amine
SMILESC=CSC(N)C=C
InChIInChI=1S/C5H9NS/c1-3-5(6)7-4-2/h3-5H,1-2,6H2
InChIKeyJOXABNPJGFVJMB-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.33
Rot. Bonds3

About 1-ethenylsulfanylprop-2-en-1-amine

1-ethenylsulfanylprop-2-en-1-amine (PubChem CID 87208996) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 1-ethenylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name1-ethenylsulfanylprop-2-en-1-amine
PubChem CID87208996
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name1-ethenylsulfanylprop-2-en-1-amine
SMILESC=CSC(N)C=C
InChIInChI=1S/C5H9NS/c1-3-5(6)7-4-2/h3-5H,1-2,6H2
InChIKeyJOXABNPJGFVJMB-UHFFFAOYSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanylprop-2-en-1-amine?
The IUPAC name of 1-ethenylsulfanylprop-2-en-1-amine (CID 87208996) is 1-ethenylsulfanylprop-2-en-1-amine.
What is the SMILES notation for 1-ethenylsulfanylprop-2-en-1-amine?
The canonical SMILES for 1-ethenylsulfanylprop-2-en-1-amine is C=CSC(N)C=C.
What is the InChIKey of 1-ethenylsulfanylprop-2-en-1-amine?
The InChIKey is JOXABNPJGFVJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-3-5(6)7-4-2/h3-5H,1-2,6H2.
What are the key properties of 1-ethenylsulfanylprop-2-en-1-amine?
1-ethenylsulfanylprop-2-en-1-amine has a molecular weight of 115.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 87208996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).