1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide

C9H9NO3S — CID 10013378

IUPAC1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide
SMILESO=S1(=O)NC2c3ccccc3CC2O1
InChIInChI=1S/C9H9NO3S/c11-14(12)10-9-7-4-2-1-3-6(7)5-8(9)13-14/h1-4,8-10H,5H2
InChIKeyRAKVELNBJSGEJZ-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.52
Rot. Bonds

About 1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide

1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide (PubChem CID 10013378) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is 1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide.

Molecular Properties

Compound Name1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide
PubChem CID10013378
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide
SMILESO=S1(=O)NC2c3ccccc3CC2O1
InChIInChI=1S/C9H9NO3S/c11-14(12)10-9-7-4-2-1-3-6(7)5-8(9)13-14/h1-4,8-10H,5H2
InChIKeyRAKVELNBJSGEJZ-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide?
The IUPAC name of 1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide (CID 10013378) is 1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide.
What is the SMILES notation for 1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide?
The canonical SMILES for 1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide is O=S1(=O)NC2c3ccccc3CC2O1.
What is the InChIKey of 1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide?
The InChIKey is RAKVELNBJSGEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c11-14(12)10-9-7-4-2-1-3-6(7)5-8(9)13-14/h1-4,8-10H,5H2.
What are the key properties of 1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide?
1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide has a molecular weight of 211.24 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,4,8b-tetrahydroindeno[1,2-d]oxathiazole 2,2-dioxide is sourced from PubChem (CID 10013378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).