2-(ethylsulfanylmethylsulfanyl)propan-1-amine

C6H15NS2 — CID 123633237

IUPAC2-(ethylsulfanylmethylsulfanyl)propan-1-amine
SMILESCCSCSC(C)CN
InChIInChI=1S/C6H15NS2/c1-3-8-5-9-6(2)4-7/h6H,3-5,7H2,1-2H3
InChIKeyOWEUASNOHYNENI-UHFFFAOYSA-N
MW165.33 g/mol
LogP1.78
Rot. Bonds5

About 2-(ethylsulfanylmethylsulfanyl)propan-1-amine

2-(ethylsulfanylmethylsulfanyl)propan-1-amine (PubChem CID 123633237) has the molecular formula C6H15NS2 and a molecular weight of 165.33 g/mol. Its IUPAC name is 2-(ethylsulfanylmethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(ethylsulfanylmethylsulfanyl)propan-1-amine
PubChem CID123633237
Molecular FormulaC6H15NS2
Molecular Weight165.33 g/mol
Exact Mass165.06
IUPAC Name2-(ethylsulfanylmethylsulfanyl)propan-1-amine
SMILESCCSCSC(C)CN
InChIInChI=1S/C6H15NS2/c1-3-8-5-9-6(2)4-7/h6H,3-5,7H2,1-2H3
InChIKeyOWEUASNOHYNENI-UHFFFAOYSA-N
XLogP1.78
TPSA26.02 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 ≤ 51.78
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'}

Analyze 2-(ethylsulfanylmethylsulfanyl)propan-1-amine 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-(ethylsulfanylmethylsulfanyl)propan-1-amine?
The IUPAC name of 2-(ethylsulfanylmethylsulfanyl)propan-1-amine (CID 123633237) is 2-(ethylsulfanylmethylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-(ethylsulfanylmethylsulfanyl)propan-1-amine?
The canonical SMILES for 2-(ethylsulfanylmethylsulfanyl)propan-1-amine is CCSCSC(C)CN.
What is the InChIKey of 2-(ethylsulfanylmethylsulfanyl)propan-1-amine?
The InChIKey is OWEUASNOHYNENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS2/c1-3-8-5-9-6(2)4-7/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-(ethylsulfanylmethylsulfanyl)propan-1-amine?
2-(ethylsulfanylmethylsulfanyl)propan-1-amine has a molecular weight of 165.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethylsulfanyl)propan-1-amine is sourced from PubChem (CID 123633237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).