2-methylsulfanyl-1-propan-2-yl-2H-pyridine

C9H15NS — CID 21040419

IUPAC2-methylsulfanyl-1-propan-2-yl-2H-pyridine
SMILESCSC1C=CC=CN1C(C)C
InChIInChI=1S/C9H15NS/c1-8(2)10-7-5-4-6-9(10)11-3/h4-9H,1-3H3
InChIKeyGBXOUWPVPRYYOD-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.47
Rot. Bonds2

About 2-methylsulfanyl-1-propan-2-yl-2H-pyridine

2-methylsulfanyl-1-propan-2-yl-2H-pyridine (PubChem CID 21040419) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-methylsulfanyl-1-propan-2-yl-2H-pyridine.

Molecular Properties

Compound Name2-methylsulfanyl-1-propan-2-yl-2H-pyridine
PubChem CID21040419
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-methylsulfanyl-1-propan-2-yl-2H-pyridine
SMILESCSC1C=CC=CN1C(C)C
InChIInChI=1S/C9H15NS/c1-8(2)10-7-5-4-6-9(10)11-3/h4-9H,1-3H3
InChIKeyGBXOUWPVPRYYOD-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methylsulfanyl-1-propan-2-yl-2H-pyridine 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-methylsulfanyl-1-propan-2-yl-2H-pyridine?
The IUPAC name of 2-methylsulfanyl-1-propan-2-yl-2H-pyridine (CID 21040419) is 2-methylsulfanyl-1-propan-2-yl-2H-pyridine.
What is the SMILES notation for 2-methylsulfanyl-1-propan-2-yl-2H-pyridine?
The canonical SMILES for 2-methylsulfanyl-1-propan-2-yl-2H-pyridine is CSC1C=CC=CN1C(C)C.
What is the InChIKey of 2-methylsulfanyl-1-propan-2-yl-2H-pyridine?
The InChIKey is GBXOUWPVPRYYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-8(2)10-7-5-4-6-9(10)11-3/h4-9H,1-3H3.
What are the key properties of 2-methylsulfanyl-1-propan-2-yl-2H-pyridine?
2-methylsulfanyl-1-propan-2-yl-2H-pyridine has a molecular weight of 169.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-propan-2-yl-2H-pyridine is sourced from PubChem (CID 21040419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).