4-ethylsulfonyl-1,2,3,6-tetrahydropyridine

C7H13NO2S — CID 57199052

IUPAC4-ethylsulfonyl-1,2,3,6-tetrahydropyridine
SMILESCCS(=O)(=O)C1=CCNCC1
InChIInChI=1S/C7H13NO2S/c1-2-11(9,10)7-3-5-8-6-4-7/h3,8H,2,4-6H2,1H3
InChIKeyZFTBKNPNGJAZRM-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.30
Rot. Bonds2

About 4-ethylsulfonyl-1,2,3,6-tetrahydropyridine

4-ethylsulfonyl-1,2,3,6-tetrahydropyridine (PubChem CID 57199052) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-ethylsulfonyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-ethylsulfonyl-1,2,3,6-tetrahydropyridine
PubChem CID57199052
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name4-ethylsulfonyl-1,2,3,6-tetrahydropyridine
SMILESCCS(=O)(=O)C1=CCNCC1
InChIInChI=1S/C7H13NO2S/c1-2-11(9,10)7-3-5-8-6-4-7/h3,8H,2,4-6H2,1H3
InChIKeyZFTBKNPNGJAZRM-UHFFFAOYSA-N
XLogP0.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-ethylsulfonyl-1,2,3,6-tetrahydropyridine (CID 57199052) is 4-ethylsulfonyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-ethylsulfonyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-ethylsulfonyl-1,2,3,6-tetrahydropyridine is CCS(=O)(=O)C1=CCNCC1.
What is the InChIKey of 4-ethylsulfonyl-1,2,3,6-tetrahydropyridine?
The InChIKey is ZFTBKNPNGJAZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-11(9,10)7-3-5-8-6-4-7/h3,8H,2,4-6H2,1H3.
What are the key properties of 4-ethylsulfonyl-1,2,3,6-tetrahydropyridine?
4-ethylsulfonyl-1,2,3,6-tetrahydropyridine has a molecular weight of 175.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 57199052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).