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

C6H15NS2 — CID 134341198

IUPAC1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNC(C)SC
InChIInChI=1S/C6H15NS2/c1-6(9-3)7-4-5-8-2/h6-7H,4-5H2,1-3H3
InChIKeyXDAUDEXSUGBAFK-UHFFFAOYSA-N
MW165.33 g/mol
LogP1.65
Rot. Bonds5

About 1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine

1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 134341198) has the molecular formula C6H15NS2 and a molecular weight of 165.33 g/mol. Its IUPAC name is 1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
PubChem CID134341198
Molecular FormulaC6H15NS2
Molecular Weight165.33 g/mol
Exact Mass165.06
IUPAC Name1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNC(C)SC
InChIInChI=1S/C6H15NS2/c1-6(9-3)7-4-5-8-2/h6-7H,4-5H2,1-3H3
InChIKeyXDAUDEXSUGBAFK-UHFFFAOYSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of 1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine (CID 134341198) is 1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for 1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine is CSCCNC(C)SC.
What is the InChIKey of 1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is XDAUDEXSUGBAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS2/c1-6(9-3)7-4-5-8-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine?
1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 165.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 134341198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).