4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C11H14N2O2S — CID 44608185

IUPAC4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)N(C1CC1)CNS2(=O)=O
InChIInChI=1S/C11H14N2O2S/c1-8-2-5-11-10(6-8)13(9-3-4-9)7-12-16(11,14)15/h2,5-6,9,12H,3-4,7H2,1H3
InChIKeyBUBPQDIZCAGYTL-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.21
Rot. Bonds1

About 4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 44608185) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID44608185
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)N(C1CC1)CNS2(=O)=O
InChIInChI=1S/C11H14N2O2S/c1-8-2-5-11-10(6-8)13(9-3-4-9)7-12-16(11,14)15/h2,5-6,9,12H,3-4,7H2,1H3
InChIKeyBUBPQDIZCAGYTL-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

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Related Compounds

4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 67531324
6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide)
CID 134828072
6,6'-(Ethane-1,2-diyl)bis(4-cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide)
CID 137628313
4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 16732615
4-Cyclopropyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CID 67530213
4-Cyclopropyl-1,1-dioxo-2,3-dihydro-1lambda6,2,4-benzothiadiazine-7-carbonitrile
CID 67530629
4-Cyclopropyl-7-methyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 67529506
4-Benzyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
CID 8721673
2H-1,2,4-Benzothiadiazine, 3,4-dihydro-3-methyl-, 1,1-dioxide
CID 21829532
3-phenyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 9795164
4-Ethyl-7-iodo-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 9797922
4-Ethyl-7-methyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 16732326

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 44608185) is 4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is Cc1ccc2c(c1)N(C1CC1)CNS2(=O)=O.
What is the InChIKey of 4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is BUBPQDIZCAGYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8-2-5-11-10(6-8)13(9-3-4-9)7-12-16(11,14)15/h2,5-6,9,12H,3-4,7H2,1H3.
What are the key properties of 4-cyclopropyl-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-cyclopropyl-6-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-6-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 44608185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).