2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine

C12H27NS2 — CID 54387949

IUPAC2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine
SMILESCCCSC(C)CNCC(C)SCCC
InChIInChI=1S/C12H27NS2/c1-5-7-14-11(3)9-13-10-12(4)15-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeyBOAMMUVTEXPHEF-UHFFFAOYSA-N
MW249.49 g/mol
LogP3.64
Rot. Bonds10

About 2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine

2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine (PubChem CID 54387949) has the molecular formula C12H27NS2 and a molecular weight of 249.49 g/mol. Its IUPAC name is 2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine
PubChem CID54387949
Molecular FormulaC12H27NS2
Molecular Weight249.49 g/mol
Exact Mass249.16
IUPAC Name2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine
SMILESCCCSC(C)CNCC(C)SCCC
InChIInChI=1S/C12H27NS2/c1-5-7-14-11(3)9-13-10-12(4)15-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeyBOAMMUVTEXPHEF-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine?
The IUPAC name of 2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine (CID 54387949) is 2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for 2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine?
The canonical SMILES for 2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine is CCCSC(C)CNCC(C)SCCC.
What is the InChIKey of 2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine?
The InChIKey is BOAMMUVTEXPHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS2/c1-5-7-14-11(3)9-13-10-12(4)15-8-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine?
2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine has a molecular weight of 249.49 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 54387949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).