2-(2-methylpropylsulfanyl)pyridine-3,4-diamine

C9H15N3S — CID 130594047

IUPAC2-(2-methylpropylsulfanyl)pyridine-3,4-diamine
SMILESCC(C)CSc1nccc(N)c1N
InChIInChI=1S/C9H15N3S/c1-6(2)5-13-9-8(11)7(10)3-4-12-9/h3-4,6H,5,11H2,1-2H3,(H2,10,12)
InChIKeyZSTWTBDFTDIDTN-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.99
Rot. Bonds3

About 2-(2-methylpropylsulfanyl)pyridine-3,4-diamine

2-(2-methylpropylsulfanyl)pyridine-3,4-diamine (PubChem CID 130594047) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)pyridine-3,4-diamine
PubChem CID130594047
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(2-methylpropylsulfanyl)pyridine-3,4-diamine
SMILESCC(C)CSc1nccc(N)c1N
InChIInChI=1S/C9H15N3S/c1-6(2)5-13-9-8(11)7(10)3-4-12-9/h3-4,6H,5,11H2,1-2H3,(H2,10,12)
InChIKeyZSTWTBDFTDIDTN-UHFFFAOYSA-N
XLogP1.99
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylpropylsulfanyl)pyridine-3,4-diamine 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)pyridine-3,4-diamine?
The IUPAC name of 2-(2-methylpropylsulfanyl)pyridine-3,4-diamine (CID 130594047) is 2-(2-methylpropylsulfanyl)pyridine-3,4-diamine.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)pyridine-3,4-diamine?
The canonical SMILES for 2-(2-methylpropylsulfanyl)pyridine-3,4-diamine is CC(C)CSc1nccc(N)c1N.
What is the InChIKey of 2-(2-methylpropylsulfanyl)pyridine-3,4-diamine?
The InChIKey is ZSTWTBDFTDIDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)5-13-9-8(11)7(10)3-4-12-9/h3-4,6H,5,11H2,1-2H3,(H2,10,12).
What are the key properties of 2-(2-methylpropylsulfanyl)pyridine-3,4-diamine?
2-(2-methylpropylsulfanyl)pyridine-3,4-diamine has a molecular weight of 197.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)pyridine-3,4-diamine is sourced from PubChem (CID 130594047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).