5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine

C8H13N3S — CID 104534747

IUPAC5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine
SMILESCSCCNc1cncc(N)c1
InChIInChI=1S/C8H13N3S/c1-12-3-2-11-8-4-7(9)5-10-6-8/h4-6,11H,2-3,9H2,1H3
InChIKeySXTBYOWUDFPFCW-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.44
Rot. Bonds4

About 5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine

5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine (PubChem CID 104534747) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine
PubChem CID104534747
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine
SMILESCSCCNc1cncc(N)c1
InChIInChI=1S/C8H13N3S/c1-12-3-2-11-8-4-7(9)5-10-6-8/h4-6,11H,2-3,9H2,1H3
InChIKeySXTBYOWUDFPFCW-UHFFFAOYSA-N
XLogP1.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

5-N-ethylpyridine-3,5-diamine
CID 104532571
2-[(5-amino-3-pyridinyl)amino]ethanol;hydrochloride
CID 175403125
5-N-decylpyridine-3,5-diamine
CID 104535317
N-[3-[(5-amino-3-pyridinyl)amino]propyl]methanesulfonamide
CID 106332321
2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide
CID 104532985
3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide
CID 104533999
5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine
CID 104534054
5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598
3-[(5-amino-3-pyridinyl)amino]-2,2-dimethylpropan-1-ol
CID 104535524
5-N-[2-(furan-2-yl)ethyl]pyridine-3,5-diamine
CID 104533462
4-[(5-amino-3-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106149745
2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide
CID 104535517

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine (CID 104534747) is 5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine is CSCCNc1cncc(N)c1.
What is the InChIKey of 5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine?
The InChIKey is SXTBYOWUDFPFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-12-3-2-11-8-4-7(9)5-10-6-8/h4-6,11H,2-3,9H2,1H3.
What are the key properties of 5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine?
5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine has a molecular weight of 183.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine is sourced from PubChem (CID 104534747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).