2,3-bis(methylsulfanyl)propan-1-amine

C5H13NS2 — CID 54283588

IUPAC2,3-bis(methylsulfanyl)propan-1-amine
SMILESCSCC(CN)SC
InChIInChI=1S/C5H13NS2/c1-7-4-5(3-6)8-2/h5H,3-4,6H2,1-2H3
InChIKeyYHIJQLDQYKSLRS-UHFFFAOYSA-N
MW151.30 g/mol
LogP1.04
Rot. Bonds4

About 2,3-bis(methylsulfanyl)propan-1-amine

2,3-bis(methylsulfanyl)propan-1-amine (PubChem CID 54283588) has the molecular formula C5H13NS2 and a molecular weight of 151.30 g/mol. Its IUPAC name is 2,3-bis(methylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2,3-bis(methylsulfanyl)propan-1-amine
PubChem CID54283588
Molecular FormulaC5H13NS2
Molecular Weight151.30 g/mol
Exact Mass151.05
IUPAC Name2,3-bis(methylsulfanyl)propan-1-amine
SMILESCSCC(CN)SC
InChIInChI=1S/C5H13NS2/c1-7-4-5(3-6)8-2/h5H,3-4,6H2,1-2H3
InChIKeyYHIJQLDQYKSLRS-UHFFFAOYSA-N
XLogP1.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-bis(methylsulfanyl)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 2,3-bis(methylsulfanyl)propan-1-amine?
The IUPAC name of 2,3-bis(methylsulfanyl)propan-1-amine (CID 54283588) is 2,3-bis(methylsulfanyl)propan-1-amine.
What is the SMILES notation for 2,3-bis(methylsulfanyl)propan-1-amine?
The canonical SMILES for 2,3-bis(methylsulfanyl)propan-1-amine is CSCC(CN)SC.
What is the InChIKey of 2,3-bis(methylsulfanyl)propan-1-amine?
The InChIKey is YHIJQLDQYKSLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS2/c1-7-4-5(3-6)8-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 2,3-bis(methylsulfanyl)propan-1-amine?
2,3-bis(methylsulfanyl)propan-1-amine has a molecular weight of 151.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylsulfanyl)propan-1-amine is sourced from PubChem (CID 54283588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).