1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide

C10H11NO2S — CID 21032393

IUPAC1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide
SMILESCN1C2c3ccccc3CC2OS1=O
InChIInChI=1S/C10H11NO2S/c1-11-10-8-5-3-2-4-7(8)6-9(10)13-14(11)12/h2-5,9-10H,6H2,1H3
InChIKeyPNAOBHIGPKVXQJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.19
Rot. Bonds

About 1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide

1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide (PubChem CID 21032393) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide.

Molecular Properties

Compound Name1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide
PubChem CID21032393
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide
SMILESCN1C2c3ccccc3CC2OS1=O
InChIInChI=1S/C10H11NO2S/c1-11-10-8-5-3-2-4-7(8)6-9(10)13-14(11)12/h2-5,9-10H,6H2,1H3
InChIKeyPNAOBHIGPKVXQJ-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide?
The IUPAC name of 1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide (CID 21032393) is 1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide.
What is the SMILES notation for 1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide?
The canonical SMILES for 1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide is CN1C2c3ccccc3CC2OS1=O.
What is the InChIKey of 1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide?
The InChIKey is PNAOBHIGPKVXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-11-10-8-5-3-2-4-7(8)6-9(10)13-14(11)12/h2-5,9-10H,6H2,1H3.
What are the key properties of 1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide?
1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide has a molecular weight of 209.27 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide is sourced from PubChem (CID 21032393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).