2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine

C6H15NS2 — CID 15410127

IUPAC2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNCCSC
InChIInChI=1S/C6H15NS2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3
InChIKeyCEDSEGACOPNBPI-UHFFFAOYSA-N
MW165.33 g/mol
LogP1.30
Rot. Bonds6

About 2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine

2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 15410127) has the molecular formula C6H15NS2 and a molecular weight of 165.33 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
PubChem CID15410127
Molecular FormulaC6H15NS2
Molecular Weight165.33 g/mol
Exact Mass165.06
IUPAC Name2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNCCSC
InChIInChI=1S/C6H15NS2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3
InChIKeyCEDSEGACOPNBPI-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of 2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine (CID 15410127) is 2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for 2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine is CSCCNCCSC.
What is the InChIKey of 2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is CEDSEGACOPNBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 165.33 g/mol, XLogP of 1.30, 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-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 15410127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).