1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine

C7H12FNO2S — CID 126995975

IUPAC1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCCS(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C7H12FNO2S/c1-2-12(10,11)9-5-3-4-7(8)6-9/h4H,2-3,5-6H2,1H3
InChIKeyTWZAVVSDOUDZFL-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.90
Rot. Bonds2

About 1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine

1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine (PubChem CID 126995975) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine
PubChem CID126995975
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC Name1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCCS(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C7H12FNO2S/c1-2-12(10,11)9-5-3-4-7(8)6-9/h4H,2-3,5-6H2,1H3
InChIKeyTWZAVVSDOUDZFL-UHFFFAOYSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Fluoro-1-[(1-methylcyclopropyl)sulfonyl]-1,2,3,6-tetrahydropyridine
CID 126793784
1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine
CID 139894069
1-ethylsulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 115770405
1-propan-2-ylsulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 115770423
1-propylsulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 115770432
5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 127000321
1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine
CID 130660791
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]acetonitrile
CID 130678384
5-fluoro-1-methylsulfonyl-3,6-dihydro-2H-pyridine
CID 130695711
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine
CID 130816249
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile
CID 131140880
(5-Fluoro-1,2,3,6-tetrahydropyridin-1-yl)(imino)(propan-2-yl)-lambda6-sulfanone
CID 164648425

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine (CID 126995975) is 1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine is CCS(=O)(=O)N1CCC=C(F)C1.
What is the InChIKey of 1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine?
The InChIKey is TWZAVVSDOUDZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2S/c1-2-12(10,11)9-5-3-4-7(8)6-9/h4H,2-3,5-6H2,1H3.
What are the key properties of 1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine?
1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine has a molecular weight of 193.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126995975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).