3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

C10H13NO2S — CID 118399117

IUPAC3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCc1cc(C)c2c(c1)C(C)NS2(=O)=O
InChIInChI=1S/C10H13NO2S/c1-6-4-7(2)10-9(5-6)8(3)11-14(10,12)13/h4-5,8,11H,1-3H3
InChIKeyIHMSUJKCESKRCI-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.66
Rot. Bonds

About 3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 118399117) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID118399117
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCc1cc(C)c2c(c1)C(C)NS2(=O)=O
InChIInChI=1S/C10H13NO2S/c1-6-4-7(2)10-9(5-6)8(3)11-14(10,12)13/h4-5,8,11H,1-3H3
InChIKeyIHMSUJKCESKRCI-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 118399117) is 3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is Cc1cc(C)c2c(c1)C(C)NS2(=O)=O.
What is the InChIKey of 3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is IHMSUJKCESKRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6-4-7(2)10-9(5-6)8(3)11-14(10,12)13/h4-5,8,11H,1-3H3.
What are the key properties of 3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 211.29 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 118399117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).