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

C16H15NO2S — CID 10660804

IUPACspiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide
SMILESO=S1(=O)NC2(CCc3ccccc32)Cc2ccccc21
InChIInChI=1S/C16H15NO2S/c18-20(19)15-8-4-2-6-13(15)11-16(17-20)10-9-12-5-1-3-7-14(12)16/h1-8,17H,9-11H2
InChIKeyAZZONIJEORXFNM-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.36
Rot. Bonds

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

spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide (PubChem CID 10660804) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide.

Molecular Properties

Compound Namespiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide
PubChem CID10660804
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Namespiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide
SMILESO=S1(=O)NC2(CCc3ccccc32)Cc2ccccc21
InChIInChI=1S/C16H15NO2S/c18-20(19)15-8-4-2-6-13(15)11-16(17-20)10-9-12-5-1-3-7-14(12)16/h1-8,17H,9-11H2
InChIKeyAZZONIJEORXFNM-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 96851281
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-2,3-dihydroinden-1-amine
CID 65403749
(3R)-3'-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]spiro[2H-1,2-benzothiazole-3,7'-5,6,8,9-tetrahydrobenzo[7]annulene] 1,1-dioxide
CID 71215462
1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
CID 67266051
spiro[1,2-dihydroindene-3,3'-morpholine]
CID 66995999
1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one
CID 10519329
spiro[2H-4,1λ6,2-benzoxathiazine-3,1'-cyclopropane] 1,1-dioxide
CID 175366250
3-(hydroxyamino)-1,1-dioxo-2H-1,2-benzothiazol-3-ol
CID 131842760
spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride
CID 45262581
1,1-diphenyl-3,4-dihydro-2H-isoquinoline
CID 59396601
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide?
The IUPAC name of spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide (CID 10660804) is spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide.
What is the SMILES notation for spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide?
The canonical SMILES for spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide is O=S1(=O)NC2(CCc3ccccc32)Cc2ccccc21.
What is the InChIKey of spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide?
The InChIKey is AZZONIJEORXFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-20(19)15-8-4-2-6-13(15)11-16(17-20)10-9-12-5-1-3-7-14(12)16/h1-8,17H,9-11H2.
What are the key properties of spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide?
spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide has a molecular weight of 285.37 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide is sourced from PubChem (CID 10660804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).