4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one

C10H16N2O3S2 — CID 60724024

IUPAC4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C10H16N2O3S2/c1-7-5-3-4-6-12(7)17(14,15)9-8(2)11-10(13)16-9/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyHVKZLSJPRTUNTN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.31
Rot. Bonds2

About 4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one

4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one (PubChem CID 60724024) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
PubChem CID60724024
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C10H16N2O3S2/c1-7-5-3-4-6-12(7)17(14,15)9-8(2)11-10(13)16-9/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyHVKZLSJPRTUNTN-UHFFFAOYSA-N
XLogP1.31
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 106742427
5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 42939523
4-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 81199247
N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 16616052
4-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)-3H-1,3-thiazol-2-one
CID 63153928
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylazepane
CID 107327191
4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 63175000
4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 62131249
5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 8778115
5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 62032946
(2S)-2-methylpiperidine-1-sulfonyl chloride
CID 98117610
N-cyclopropyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723887

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one (CID 60724024) is 4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of 4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The InChIKey is HVKZLSJPRTUNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-7-5-3-4-6-12(7)17(14,15)9-8(2)11-10(13)16-9/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 60724024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).