2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole

C15H17FN2O2S2 — CID 57193110

IUPAC2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H17FN2O2S2/c1-11-10-17-15(21-11)14-4-2-3-9-18(14)22(19,20)13-7-5-12(16)6-8-13/h5-8,10,14H,2-4,9H2,1H3/t14-/m0/s1
InChIKeyPIVJYFJTFULEDI-AWEZNQCLSA-N
MW340.44 g/mol
LogP3.51
Rot. Bonds3

About 2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole

2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole (PubChem CID 57193110) has the molecular formula C15H17FN2O2S2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole
PubChem CID57193110
Molecular FormulaC15H17FN2O2S2
Molecular Weight340.44 g/mol
Exact Mass340.07
IUPAC Name2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H17FN2O2S2/c1-11-10-17-15(21-11)14-4-2-3-9-18(14)22(19,20)13-7-5-12(16)6-8-13/h5-8,10,14H,2-4,9H2,1H3/t14-/m0/s1
InChIKeyPIVJYFJTFULEDI-AWEZNQCLSA-N
XLogP3.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
(2S)-1-(4-fluorophenyl)sulfonyl-2-(3-methylthiophen-2-yl)azepane
CID 92502804
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
1-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 53096117
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine
CID 57164014
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
5-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 95071375
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole
CID 133351883
(2S)-1-(4-tert-butylphenyl)sulfonyl-2-(5-methylthiophen-2-yl)azepane
CID 93076646
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole (CID 57193110) is 2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole is Cc1cnc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole?
The InChIKey is PIVJYFJTFULEDI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17FN2O2S2/c1-11-10-17-15(21-11)14-4-2-3-9-18(14)22(19,20)13-7-5-12(16)6-8-13/h5-8,10,14H,2-4,9H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole?
2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole has a molecular weight of 340.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 57193110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).