1-prop-2-enylsulfanylprop-2-en-1-amine

C6H11NS — CID 87173731

IUPAC1-prop-2-enylsulfanylprop-2-en-1-amine
SMILESC=CCSC(N)C=C
InChIInChI=1S/C6H11NS/c1-3-5-8-6(7)4-2/h3-4,6H,1-2,5,7H2
InChIKeyJKPBUOPOFOWTRJ-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.38
Rot. Bonds4

About 1-prop-2-enylsulfanylprop-2-en-1-amine

1-prop-2-enylsulfanylprop-2-en-1-amine (PubChem CID 87173731) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 1-prop-2-enylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name1-prop-2-enylsulfanylprop-2-en-1-amine
PubChem CID87173731
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name1-prop-2-enylsulfanylprop-2-en-1-amine
SMILESC=CCSC(N)C=C
InChIInChI=1S/C6H11NS/c1-3-5-8-6(7)4-2/h3-4,6H,1-2,5,7H2
InChIKeyJKPBUOPOFOWTRJ-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.38
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-prop-2-enylsulfanylprop-2-en-1-amine?
The IUPAC name of 1-prop-2-enylsulfanylprop-2-en-1-amine (CID 87173731) is 1-prop-2-enylsulfanylprop-2-en-1-amine.
What is the SMILES notation for 1-prop-2-enylsulfanylprop-2-en-1-amine?
The canonical SMILES for 1-prop-2-enylsulfanylprop-2-en-1-amine is C=CCSC(N)C=C.
What is the InChIKey of 1-prop-2-enylsulfanylprop-2-en-1-amine?
The InChIKey is JKPBUOPOFOWTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-5-8-6(7)4-2/h3-4,6H,1-2,5,7H2.
What are the key properties of 1-prop-2-enylsulfanylprop-2-en-1-amine?
1-prop-2-enylsulfanylprop-2-en-1-amine has a molecular weight of 129.23 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 87173731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).