5-methylsulfinyl-1,2,3,4-tetrahydropyridine

C6H11NOS — CID 123173145

IUPAC5-methylsulfinyl-1,2,3,4-tetrahydropyridine
SMILESCS(=O)C1=CNCCC1
InChIInChI=1S/C6H11NOS/c1-9(8)6-3-2-4-7-5-6/h5,7H,2-4H2,1H3
InChIKeyPFPSDBPLIVHRBQ-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.59
Rot. Bonds1

About 5-methylsulfinyl-1,2,3,4-tetrahydropyridine

5-methylsulfinyl-1,2,3,4-tetrahydropyridine (PubChem CID 123173145) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 5-methylsulfinyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-methylsulfinyl-1,2,3,4-tetrahydropyridine
PubChem CID123173145
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name5-methylsulfinyl-1,2,3,4-tetrahydropyridine
SMILESCS(=O)C1=CNCCC1
InChIInChI=1S/C6H11NOS/c1-9(8)6-3-2-4-7-5-6/h5,7H,2-4H2,1H3
InChIKeyPFPSDBPLIVHRBQ-UHFFFAOYSA-N
XLogP0.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfinyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-methylsulfinyl-1,2,3,4-tetrahydropyridine (CID 123173145) is 5-methylsulfinyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-methylsulfinyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-methylsulfinyl-1,2,3,4-tetrahydropyridine is CS(=O)C1=CNCCC1.
What is the InChIKey of 5-methylsulfinyl-1,2,3,4-tetrahydropyridine?
The InChIKey is PFPSDBPLIVHRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-9(8)6-3-2-4-7-5-6/h5,7H,2-4H2,1H3.
What are the key properties of 5-methylsulfinyl-1,2,3,4-tetrahydropyridine?
5-methylsulfinyl-1,2,3,4-tetrahydropyridine has a molecular weight of 145.23 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfinyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 123173145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).