1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine

C12H19NS2 — CID 173474477

IUPAC1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine
SMILESC=CCSC(C=C)NC(C=C)SCC=C
InChIInChI=1S/C12H19NS2/c1-5-9-14-11(7-3)13-12(8-4)15-10-6-2/h5-8,11-13H,1-4,9-10H2
InChIKeyWFDLGUDMESDPDJ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds10

About 1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine

1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine (PubChem CID 173474477) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine
PubChem CID173474477
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC Name1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine
SMILESC=CCSC(C=C)NC(C=C)SCC=C
InChIInChI=1S/C12H19NS2/c1-5-9-14-11(7-3)13-12(8-4)15-10-6-2/h5-8,11-13H,1-4,9-10H2
InChIKeyWFDLGUDMESDPDJ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine?
The IUPAC name of 1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine (CID 173474477) is 1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine.
What is the SMILES notation for 1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine?
The canonical SMILES for 1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine is C=CCSC(C=C)NC(C=C)SCC=C.
What is the InChIKey of 1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine?
The InChIKey is WFDLGUDMESDPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c1-5-9-14-11(7-3)13-12(8-4)15-10-6-2/h5-8,11-13H,1-4,9-10H2.
What are the key properties of 1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine?
1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine is sourced from PubChem (CID 173474477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).