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

C6H11NO2S — CID 174963346

IUPAC5-methylsulfonyl-1,2,3,4-tetrahydropyridine
SMILESCS(=O)(=O)C1=CNCCC1
InChIInChI=1S/C6H11NO2S/c1-10(8,9)6-3-2-4-7-5-6/h5,7H,2-4H2,1H3
InChIKeyQIARDLGIRKGQRC-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.26
Rot. Bonds1

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

5-methylsulfonyl-1,2,3,4-tetrahydropyridine (PubChem CID 174963346) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 5-methylsulfonyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-methylsulfonyl-1,2,3,4-tetrahydropyridine
PubChem CID174963346
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name5-methylsulfonyl-1,2,3,4-tetrahydropyridine
SMILESCS(=O)(=O)C1=CNCCC1
InChIInChI=1S/C6H11NO2S/c1-10(8,9)6-3-2-4-7-5-6/h5,7H,2-4H2,1H3
InChIKeyQIARDLGIRKGQRC-UHFFFAOYSA-N
XLogP0.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-methylsulfonyl-1,2,3,4-tetrahydropyridine (CID 174963346) is 5-methylsulfonyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-methylsulfonyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-methylsulfonyl-1,2,3,4-tetrahydropyridine is CS(=O)(=O)C1=CNCCC1.
What is the InChIKey of 5-methylsulfonyl-1,2,3,4-tetrahydropyridine?
The InChIKey is QIARDLGIRKGQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-10(8,9)6-3-2-4-7-5-6/h5,7H,2-4H2,1H3.
What are the key properties of 5-methylsulfonyl-1,2,3,4-tetrahydropyridine?
5-methylsulfonyl-1,2,3,4-tetrahydropyridine has a molecular weight of 161.23 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 174963346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).