1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one

C11H11NO3S — CID 115097213

IUPAC1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one
SMILESO=C1Nc2ccccc2S(=O)(=O)C12CCC2
InChIInChI=1S/C11H11NO3S/c13-10-11(6-3-7-11)16(14,15)9-5-2-1-4-8(9)12-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyVFOOOXIHDNCDJA-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.34
Rot. Bonds

About 1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one

1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one (PubChem CID 115097213) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one.

Molecular Properties

Compound Name1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one
PubChem CID115097213
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one
SMILESO=C1Nc2ccccc2S(=O)(=O)C12CCC2
InChIInChI=1S/C11H11NO3S/c13-10-11(6-3-7-11)16(14,15)9-5-2-1-4-8(9)12-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyVFOOOXIHDNCDJA-UHFFFAOYSA-N
XLogP1.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one
CID 115097319
spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
CID 115096856
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
1,1-dioxo-3H-1,3-benzothiazol-2-one;ethane
CID 123564256
1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one;hydrochloride
CID 174157323
3-(chloromethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 4132234
1,1-dioxo-2-propyl-4H-1λ6,2,4-benzothiadiazin-3-one
CID 82084502
(3aS)-10,10-dioxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-one
CID 59684194
7-chloro-1,1-dioxospiro[2,5-dihydro-1λ6,5-benzothiazepine-3,1'-cyclobutane]-4-one
CID 115099346
2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 70870893
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one?
The IUPAC name of 1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one (CID 115097213) is 1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one.
What is the SMILES notation for 1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one?
The canonical SMILES for 1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one is O=C1Nc2ccccc2S(=O)(=O)C12CCC2.
What is the InChIKey of 1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one?
The InChIKey is VFOOOXIHDNCDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-10-11(6-3-7-11)16(14,15)9-5-2-1-4-8(9)12-10/h1-2,4-5H,3,6-7H2,(H,12,13).
What are the key properties of 1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one?
1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one has a molecular weight of 237.28 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one is sourced from PubChem (CID 115097213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).