5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine

C9H14FNO2S — CID 126793784

IUPAC5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCC1(S(=O)(=O)N2CCC=C(F)C2)CC1
InChIInChI=1S/C9H14FNO2S/c1-9(4-5-9)14(12,13)11-6-2-3-8(10)7-11/h3H,2,4-7H2,1H3
InChIKeyUSHLSOPQTSXCNW-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.43
Rot. Bonds2

About 5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine

5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 126793784) has the molecular formula C9H14FNO2S and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine
PubChem CID126793784
Molecular FormulaC9H14FNO2S
Molecular Weight219.28 g/mol
Exact Mass219.07
IUPAC Name5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCC1(S(=O)(=O)N2CCC=C(F)C2)CC1
InChIInChI=1S/C9H14FNO2S/c1-9(4-5-9)14(12,13)11-6-2-3-8(10)7-11/h3H,2,4-7H2,1H3
InChIKeyUSHLSOPQTSXCNW-UHFFFAOYSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine (CID 126793784) is 5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine is CC1(S(=O)(=O)N2CCC=C(F)C2)CC1.
What is the InChIKey of 5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is USHLSOPQTSXCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2S/c1-9(4-5-9)14(12,13)11-6-2-3-8(10)7-11/h3H,2,4-7H2,1H3.
What are the key properties of 5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine?
5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 219.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1-methylcyclopropyl)sulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126793784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).