8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one

C12H13NO2S — CID 115097235

IUPAC8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one
SMILESCOc1cccc2c1SC1(CCC1)C(=O)N2
InChIInChI=1S/C12H13NO2S/c1-15-9-5-2-4-8-10(9)16-12(6-3-7-12)11(14)13-8/h2,4-5H,3,6-7H2,1H3,(H,13,14)
InChIKeyYTFQGEFWSIFROV-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.66
Rot. Bonds1

About 8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one

8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one (PubChem CID 115097235) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one.

Molecular Properties

Compound Name8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one
PubChem CID115097235
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one
SMILESCOc1cccc2c1SC1(CCC1)C(=O)N2
InChIInChI=1S/C12H13NO2S/c1-15-9-5-2-4-8-10(9)16-12(6-3-7-12)11(14)13-8/h2,4-5H,3,6-7H2,1H3,(H,13,14)
InChIKeyYTFQGEFWSIFROV-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-methoxyspiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopentane]-4-one
CID 115099479
8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one
CID 115097593
8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096866
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
CID 115097204
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097285
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one
CID 115097570
4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115097958
6-methoxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-2-one
CID 115099069
7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane]
CID 90137329
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
4-methoxyspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 72698777

Frequently Asked Questions

What is the IUPAC name of 8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one?
The IUPAC name of 8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one (CID 115097235) is 8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one.
What is the SMILES notation for 8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one?
The canonical SMILES for 8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one is COc1cccc2c1SC1(CCC1)C(=O)N2.
What is the InChIKey of 8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one?
The InChIKey is YTFQGEFWSIFROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-15-9-5-2-4-8-10(9)16-12(6-3-7-12)11(14)13-8/h2,4-5H,3,6-7H2,1H3,(H,13,14).
What are the key properties of 8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one?
8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one has a molecular weight of 235.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one is sourced from PubChem (CID 115097235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).