5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine

C8H14FNO2S — CID 127000321

IUPAC5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC(C)S(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C8H14FNO2S/c1-7(2)13(11,12)10-5-3-4-8(9)6-10/h4,7H,3,5-6H2,1-2H3
InChIKeyGYCCLXZNPCJKOB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.28
Rot. Bonds2

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

5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 127000321) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID127000321
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC Name5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC(C)S(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C8H14FNO2S/c1-7(2)13(11,12)10-5-3-4-8(9)6-10/h4,7H,3,5-6H2,1-2H3
InChIKeyGYCCLXZNPCJKOB-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.28
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
1-ethylsulfonyl-5-fluoro-3,6-dihydro-2H-pyridine
CID 126995975
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol
CID 127007464
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine (CID 127000321) is 5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine is CC(C)S(=O)(=O)N1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is GYCCLXZNPCJKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c1-7(2)13(11,12)10-5-3-4-8(9)6-10/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 207.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 127000321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).