2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole

C14H14F2N2O2S2 — CID 124562567

IUPAC2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](c2nccs2)C1
InChIInChI=1S/C14H14F2N2O2S2/c15-12-4-3-11(8-13(12)16)22(19,20)18-6-1-2-10(9-18)14-17-5-7-21-14/h3-5,7-8,10H,1-2,6,9H2/t10-/m1/s1
InChIKeyNBSZBMJYFTZHRZ-SNVBAGLBSA-N
MW344.41 g/mol
LogP2.99
Rot. Bonds3

About 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole

2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole (PubChem CID 124562567) has the molecular formula C14H14F2N2O2S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole
PubChem CID124562567
Molecular FormulaC14H14F2N2O2S2
Molecular Weight344.41 g/mol
Exact Mass344.05
IUPAC Name2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](c2nccs2)C1
InChIInChI=1S/C14H14F2N2O2S2/c15-12-4-3-11(8-13(12)16)22(19,20)18-6-1-2-10(9-18)14-17-5-7-21-14/h3-5,7-8,10H,1-2,6,9H2/t10-/m1/s1
InChIKeyNBSZBMJYFTZHRZ-SNVBAGLBSA-N
XLogP2.99
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole
CID 126775746
6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 110115186
2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 125021411
3-(bromomethyl)-1-(3,4-difluorophenyl)sulfonylpiperidine
CID 80673180
(3aS,6aR)-2-(3,4-difluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 173069403
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
CID 110289836
1-(3,4-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147289
(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579291
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 56579545
N-(1,3-benzodioxol-5-yl)-5-[(3S)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94089229
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole (CID 124562567) is 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole is O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](c2nccs2)C1.
What is the InChIKey of 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole?
The InChIKey is NBSZBMJYFTZHRZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14F2N2O2S2/c15-12-4-3-11(8-13(12)16)22(19,20)18-6-1-2-10(9-18)14-17-5-7-21-14/h3-5,7-8,10H,1-2,6,9H2/t10-/m1/s1.
What are the key properties of 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole?
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole has a molecular weight of 344.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 124562567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).