(3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one

C15H15NO3S2 — CID 28630968

IUPAC(3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCc1cc2n(c(=O)c1)[C@@H](CS(=O)(=O)c1ccccc1)CS2
InChIInChI=1S/C15H15NO3S2/c1-11-7-14(17)16-12(9-20-15(16)8-11)10-21(18,19)13-5-3-2-4-6-13/h2-8,12H,9-10H2,1H3/t12-/m1/s1
InChIKeyFKHGKPIHMYKXJR-GFCCVEGCSA-N
MW321.42 g/mol
LogP2.28
Rot. Bonds3

About (3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one

(3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 28630968) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name(3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
PubChem CID28630968
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC Name(3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCc1cc2n(c(=O)c1)[C@@H](CS(=O)(=O)c1ccccc1)CS2
InChIInChI=1S/C15H15NO3S2/c1-11-7-14(17)16-12(9-20-15(16)8-11)10-21(18,19)13-5-3-2-4-6-13/h2-8,12H,9-10H2,1H3/t12-/m1/s1
InChIKeyFKHGKPIHMYKXJR-GFCCVEGCSA-N
XLogP2.28
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-7-amino-3-[(4-tert-butylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51601618
(5S)-5-(benzenesulfonylmethyl)-3-(4-nitrophenyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 41145435
2-(benzenesulfonylmethyl)thiirane
CID 15921047
(3S)-7-amino-3-[(4-nitrophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 41145429
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 90585577
2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90585786
(1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 1091921
2-(benzenesulfonylmethyl)-1,3-dithiolane
CID 11021627
trans-(2S,5S)-5-(benzenesulfonylmethyl)-2-methylcyclohexan-1-one
CID 101223012
2-(benzenesulfonylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine
CID 90585751
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 90585567
2-[(4-methylphenyl)sulfonylmethyl]pyrrolidine-1-carboxylic acid
CID 175772161

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The IUPAC name of (3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 28630968) is (3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for (3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The canonical SMILES for (3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one is Cc1cc2n(c(=O)c1)[C@@H](CS(=O)(=O)c1ccccc1)CS2.
What is the InChIKey of (3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The InChIKey is FKHGKPIHMYKXJR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-11-7-14(17)16-12(9-20-15(16)8-11)10-21(18,19)13-5-3-2-4-6-13/h2-8,12H,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
(3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 321.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(benzenesulfonylmethyl)-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 28630968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).