5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine

C9H16FNS — CID 174264461

IUPAC5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCSN1CCC(C(C)C)=C(F)C1
InChIInChI=1S/C9H16FNS/c1-7(2)8-4-5-11(12-3)6-9(8)10/h7H,4-6H2,1-3H3
InChIKeyOGOJMFARFKKUOT-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.85
Rot. Bonds2

About 5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine

5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 174264461) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID174264461
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Name5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCSN1CCC(C(C)C)=C(F)C1
InChIInChI=1S/C9H16FNS/c1-7(2)8-4-5-11(12-3)6-9(8)10/h7H,4-6H2,1-3H3
InChIKeyOGOJMFARFKKUOT-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-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 5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine (CID 174264461) is 5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine is CSN1CCC(C(C)C)=C(F)C1.
What is the InChIKey of 5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is OGOJMFARFKKUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNS/c1-7(2)8-4-5-11(12-3)6-9(8)10/h7H,4-6H2,1-3H3.
What are the key properties of 5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 189.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 174264461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).