2-(2-methylpropylsulfanyl)ethanamine

C6H15NS — CID 21026491

IUPAC2-(2-methylpropylsulfanyl)ethanamine
SMILESCC(C)CSCCN
InChIInChI=1S/C6H15NS/c1-6(2)5-8-4-3-7/h6H,3-5,7H2,1-2H3
InChIKeyLWDLLZDODQKNDI-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.33
Rot. Bonds4

About 2-(2-methylpropylsulfanyl)ethanamine

2-(2-methylpropylsulfanyl)ethanamine (PubChem CID 21026491) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)ethanamine
PubChem CID21026491
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name2-(2-methylpropylsulfanyl)ethanamine
SMILESCC(C)CSCCN
InChIInChI=1S/C6H15NS/c1-6(2)5-8-4-3-7/h6H,3-5,7H2,1-2H3
InChIKeyLWDLLZDODQKNDI-UHFFFAOYSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methylpropylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)ethanamine?
The IUPAC name of 2-(2-methylpropylsulfanyl)ethanamine (CID 21026491) is 2-(2-methylpropylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)ethanamine?
The canonical SMILES for 2-(2-methylpropylsulfanyl)ethanamine is CC(C)CSCCN.
What is the InChIKey of 2-(2-methylpropylsulfanyl)ethanamine?
The InChIKey is LWDLLZDODQKNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-6(2)5-8-4-3-7/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanyl)ethanamine?
2-(2-methylpropylsulfanyl)ethanamine has a molecular weight of 133.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)ethanamine is sourced from PubChem (CID 21026491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).