(2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one

C13H13NO2S — CID 2443133

IUPAC(2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one
SMILESO=C1CCC[C@H]1[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C13H13NO2S/c15-10-6-3-4-8(10)12-13(16)14-9-5-1-2-7-11(9)17-12/h1-2,5,7-8,12H,3-4,6H2,(H,14,16)/t8-,12-/m1/s1
InChIKeyWBQGEUHQTIXKKI-PRHODGIISA-N
MW247.32 g/mol
LogP2.47
Rot. Bonds1

About (2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one

(2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one (PubChem CID 2443133) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is (2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one
PubChem CID2443133
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name(2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one
SMILESO=C1CCC[C@H]1[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C13H13NO2S/c15-10-6-3-4-8(10)12-13(16)14-9-5-1-2-7-11(9)17-12/h1-2,5,7-8,12H,3-4,6H2,(H,14,16)/t8-,12-/m1/s1
InChIKeyWBQGEUHQTIXKKI-PRHODGIISA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 13327107
3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 3242458
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
(4aS,9aS)-2,3,4,4a,9,9a-hexahydrocarbazol-1-one
CID 98116106
2-methyl-4H-1,4-benzothiazin-3-one;propane
CID 143681564
(2S)-2-[1-methyl-5-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]pyrrol-2-yl]-4H-1,4-benzothiazin-3-one
CID 2470520
(2S,3S)-3-hydroxy-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 70494662
2,3,4a,10-tetrahydrophenothiazin-4-one
CID 4159710
(3-oxo-4H-1,4-benzothiazin-2-yl)phosphonic acid
CID 174507583
5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one
CID 131876341
2-nitro-4H-1,4-benzothiazin-3-one
CID 141103329
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4779894

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of (2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one (CID 2443133) is (2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for (2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for (2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one is O=C1CCC[C@H]1[C@H]1Sc2ccccc2NC1=O.
What is the InChIKey of (2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is WBQGEUHQTIXKKI-PRHODGIISA-N. The full InChI is InChI=1S/C13H13NO2S/c15-10-6-3-4-8(10)12-13(16)14-9-5-1-2-7-11(9)17-12/h1-2,5,7-8,12H,3-4,6H2,(H,14,16)/t8-,12-/m1/s1.
What are the key properties of (2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one?
(2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 247.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 2443133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).