spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide

C10H11NO2S — CID 115096856

IUPACspiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
SMILESO=S1(=O)c2ccccc2NCC12CC2
InChIInChI=1S/C10H11NO2S/c12-14(13)9-4-2-1-3-8(9)11-7-10(14)5-6-10/h1-4,11H,5-7H2
InChIKeyQGEIPSOAASZCNL-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.42
Rot. Bonds

About spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide

spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide (PubChem CID 115096856) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide.

Molecular Properties

Compound Namespiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
PubChem CID115096856
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Namespiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
SMILESO=S1(=O)c2ccccc2NCC12CC2
InChIInChI=1S/C10H11NO2S/c12-14(13)9-4-2-1-3-8(9)11-7-10(14)5-6-10/h1-4,11H,5-7H2
InChIKeyQGEIPSOAASZCNL-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide with MolForge

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Related Compounds

8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
CID 115096858
5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
CID 115096962
1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one
CID 115097213
7-(trifluoromethyl)spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclohexane] 1,1-dioxide
CID 115098146
5-(trifluoromethyl)spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclobutane] 1,1-dioxide
CID 115097323
1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one
CID 59674661
1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one;hydrochloride
CID 174157323
3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 80503717
7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84632106
2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide
CID 151760838
1,1-dioxo-3H-1,3-benzothiazol-2-one;ethane
CID 123564256
7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84630049

Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
The IUPAC name of spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide (CID 115096856) is spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide.
What is the SMILES notation for spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
The canonical SMILES for spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide is O=S1(=O)c2ccccc2NCC12CC2.
What is the InChIKey of spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
The InChIKey is QGEIPSOAASZCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-14(13)9-4-2-1-3-8(9)11-7-10(14)5-6-10/h1-4,11H,5-7H2.
What are the key properties of spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide has a molecular weight of 209.27 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide is sourced from PubChem (CID 115096856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).