spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide

C9H9NO3S — CID 175366250

IUPACspiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide
SMILESO=S1(=O)NC2(CC2)Oc2ccccc21
InChIInChI=1S/C9H9NO3S/c11-14(12)8-4-2-1-3-7(8)13-9(10-14)5-6-9/h1-4,10H,5-6H2
InChIKeyLPAFGQSEAUIRAE-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.85
Rot. Bonds

About spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide

spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide (PubChem CID 175366250) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide.

Molecular Properties

Compound Namespiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide
PubChem CID175366250
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Namespiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide
SMILESO=S1(=O)NC2(CC2)Oc2ccccc21
InChIInChI=1S/C9H9NO3S/c11-14(12)8-4-2-1-3-7(8)13-9(10-14)5-6-9/h1-4,10H,5-6H2
InChIKeyLPAFGQSEAUIRAE-UHFFFAOYSA-N
XLogP0.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4R)-4-methyl-3,4-dihydro-2H-5,1λ6,2-benzoxathiazepine 1,1-dioxide
CID 101043785
spiro[2,4,1λ6-benzodioxathiine-3,4'-thiane] 1,1,1'-trioxide
CID 176765853
2-fluoro-2-phenyl-1,3λ6-benzoxathiole 3,3-dioxide
CID 162451918
spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide
CID 10660804
1λ6,3λ6,2-benzodithiazole 1,1,3,3-tetraoxide
CID 10500043
1'-(1H-indol-3-ylmethyl)spiro[2,3-dihydro-5,1λ6,2-benzoxathiazepine-4,4'-piperidine] 1,1-dioxide
CID 171922080
spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 652743
3-ethenyl-3-methyl-2,4,1λ6-benzodioxathiine 1,1-dioxide
CID 176765807
[1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide
CID 146334062
3-(hydroxyamino)-1,1-dioxo-2H-1,2-benzothiazol-3-ol
CID 131842760
(1S,11S)-14-methyl-2-oxa-9λ6-thia-10,14-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene 9,9-dioxide
CID 97441216
spiro[3H-1-benzofuran-2,2'-pyrrolidine]
CID 175955599

Frequently Asked Questions

What is the IUPAC name of spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide?
The IUPAC name of spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide (CID 175366250) is spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide.
What is the SMILES notation for spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide?
The canonical SMILES for spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide is O=S1(=O)NC2(CC2)Oc2ccccc21.
What is the InChIKey of spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide?
The InChIKey is LPAFGQSEAUIRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c11-14(12)8-4-2-1-3-7(8)13-9(10-14)5-6-9/h1-4,10H,5-6H2.
What are the key properties of spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide?
spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide has a molecular weight of 211.24 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide is sourced from PubChem (CID 175366250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).