3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C12H14N2O2S — CID 23274604

IUPAC3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(C2CCCC2)Nc2ccccc21
InChIInChI=1S/C12H14N2O2S/c15-17(16)11-8-4-3-7-10(11)13-12(14-17)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,13,14)
InChIKeyDWDZPJCCEADYFT-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.39
Rot. Bonds1

About 3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 23274604) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID23274604
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(C2CCCC2)Nc2ccccc21
InChIInChI=1S/C12H14N2O2S/c15-17(16)11-8-4-3-7-10(11)13-12(14-17)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,13,14)
InChIKeyDWDZPJCCEADYFT-UHFFFAOYSA-N
XLogP2.39
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-4H-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

Related Compounds

2H-1,2,4-Benzothiadiazine, 3-methyl-, 1,1-dioxide
CID 67760
1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
CID 686902
4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide
CID 69760
3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione
CID 4132234
2H-1,2,4-Benzothiadiazine-6-methanamine, 3-methyl-, 1,1-dioxide, monohydrochloride
CID 3061886
2H-1,2,4-Benzothiadiazin-3-amine, 1,1-dioxide
CID 204430
3-[[3-(trifluoromethyl)phenyl]methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 126479079
7-chloro-3-(2-methylpropyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 53239269
4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)butanamide
CID 3239579
6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 121929
3-(4-fluorophenyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 4132406
2H-1,2,4-Benzothiadiazine-3-methanamine, 1,1-dioxide
CID 199850

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 23274604) is 3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=C(C2CCCC2)Nc2ccccc21.
What is the InChIKey of 3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is DWDZPJCCEADYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-17(16)11-8-4-3-7-10(11)13-12(14-17)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,13,14).
What are the key properties of 3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 250.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 23274604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).