5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide

C15H17FN2O2S — CID 20934698

IUPAC5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCCCC1
InChIInChI=1S/C15H17FN2O2S/c1-11-14(12-5-7-13(16)8-6-12)21(19,20)17-15(11)18-9-3-2-4-10-18/h5-8H,2-4,9-10H2,1H3
InChIKeyLQTKEYVQFSAKOE-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.78
Rot. Bonds1

About 5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide

5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide (PubChem CID 20934698) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide
PubChem CID20934698
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCCCC1
InChIInChI=1S/C15H17FN2O2S/c1-11-14(12-5-7-13(16)8-6-12)21(19,20)17-15(11)18-9-3-2-4-10-18/h5-8H,2-4,9-10H2,1H3
InChIKeyLQTKEYVQFSAKOE-UHFFFAOYSA-N
XLogP2.78
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-N'-[(4-fluorophenyl)sulfonyl]benzenecarboximidamide
CID 5843125
Piperidine, 1-(1-(((4-methylphenyl)sulfonyl)imino)ethyl)-
CID 9587107
(E)-N-((2-fluorophenyl)(piperidin-1-yl)methylene)benzenesulfonamide
CID 16449616
N-[(4-fluorophenyl)(1-piperidinyl)methylene]-4-methylbenzenesulfonamide
CID 5640258
Benzenesulfonamide, 4-methyl-N-(1-methyl-2-piperidinylidene)-
CID 6366205
[(Z)-(p-fluorophenyl)piperidinomethyleneamino](oxo)-p-tolyl-lambda-sulfaniumolate
CID 2138713
N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide
CID 3495783
N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
CID 4607859
N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
CID 4704459
(NZ)-4-fluoro-N-[(4-methylpiperazin-1-yl)-phenylmethylidene]benzenesulfonamide
CID 5641504
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-isothiazol-3-amine
CID 135735966
N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide
CID 134838608

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide (CID 20934698) is 5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide is CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCCCC1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide?
The InChIKey is LQTKEYVQFSAKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-14(12-5-7-13(16)8-6-12)21(19,20)17-15(11)18-9-3-2-4-10-18/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide?
5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide has a molecular weight of 308.38 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 20934698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).