5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole

C10H16N2O2S2 — CID 124966701

IUPAC5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
SMILESCc1cnc([C@@H]2CCCN(S(C)(=O)=O)C2)s1
InChIInChI=1S/C10H16N2O2S2/c1-8-6-11-10(15-8)9-4-3-5-12(7-9)16(2,13)14/h6,9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeyINOQCMAVFHAGFI-SECBINFHSA-N
MW260.38 g/mol
LogP1.59
Rot. Bonds2

About 5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole

5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole (PubChem CID 124966701) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
PubChem CID124966701
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
SMILESCc1cnc([C@@H]2CCCN(S(C)(=O)=O)C2)s1
InChIInChI=1S/C10H16N2O2S2/c1-8-6-11-10(15-8)9-4-3-5-12(7-9)16(2,13)14/h6,9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeyINOQCMAVFHAGFI-SECBINFHSA-N
XLogP1.59
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N,N-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 125012811
2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
CID 124997319
2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
CID 125018683
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
CID 95817352
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole
CID 71134865
4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124998697
[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125018357
2-(4-fluorophenoxy)-1-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124967078
6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125021912

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole (CID 124966701) is 5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole is Cc1cnc([C@@H]2CCCN(S(C)(=O)=O)C2)s1.
What is the InChIKey of 5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole?
The InChIKey is INOQCMAVFHAGFI-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-8-6-11-10(15-8)9-4-3-5-12(7-9)16(2,13)14/h6,9H,3-5,7H2,1-2H3/t9-/m1/s1.
What are the key properties of 5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole?
5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole has a molecular weight of 260.38 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 124966701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).