2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine

C8H19NS2 — CID 54325896

IUPAC2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine
SMILESCSC(C)CNCC(C)SC
InChIInChI=1S/C8H19NS2/c1-7(10-3)5-9-6-8(2)11-4/h7-9H,5-6H2,1-4H3
InChIKeyDEYOUOLCEDVZQR-UHFFFAOYSA-N
MW193.38 g/mol
LogP2.08
Rot. Bonds6

About 2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine

2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine (PubChem CID 54325896) has the molecular formula C8H19NS2 and a molecular weight of 193.38 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine
PubChem CID54325896
Molecular FormulaC8H19NS2
Molecular Weight193.38 g/mol
Exact Mass193.10
IUPAC Name2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine
SMILESCSC(C)CNCC(C)SC
InChIInChI=1S/C8H19NS2/c1-7(10-3)5-9-6-8(2)11-4/h7-9H,5-6H2,1-4H3
InChIKeyDEYOUOLCEDVZQR-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine (CID 54325896) is 2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine is CSC(C)CNCC(C)SC.
What is the InChIKey of 2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine?
The InChIKey is DEYOUOLCEDVZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS2/c1-7(10-3)5-9-6-8(2)11-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine?
2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine has a molecular weight of 193.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 54325896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).