4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C11H14N2O2S — CID 67529506

IUPAC4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)NCN2C1CC1
InChIInChI=1S/C11H14N2O2S/c1-8-2-5-10-11(6-8)16(14,15)12-7-13(10)9-3-4-9/h2,5-6,9,12H,3-4,7H2,1H3
InChIKeyAPNFKOCXFKJXDY-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.21
Rot. Bonds1

About 4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 67529506) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID67529506
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)NCN2C1CC1
InChIInChI=1S/C11H14N2O2S/c1-8-2-5-10-11(6-8)16(14,15)12-7-13(10)9-3-4-9/h2,5-6,9,12H,3-4,7H2,1H3
InChIKeyAPNFKOCXFKJXDY-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 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 4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 67529506) is 4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is Cc1ccc2c(c1)S(=O)(=O)NCN2C1CC1.
What is the InChIKey of 4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is APNFKOCXFKJXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8-2-5-10-11(6-8)16(14,15)12-7-13(10)9-3-4-9/h2,5-6,9,12H,3-4,7H2,1H3.
What are the key properties of 4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 238.31 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67529506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).