3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

C14H18N2O2S — CID 162515240

IUPAC3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCN1C(C2CCCCC2)=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H18N2O2S/c1-16-12-9-5-6-10-13(12)19(17,18)15-14(16)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyOXAXMSNCULRKLH-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.80
Rot. Bonds1

About 3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 162515240) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID162515240
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCN1C(C2CCCCC2)=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H18N2O2S/c1-16-12-9-5-6-10-13(12)19(17,18)15-14(16)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyOXAXMSNCULRKLH-UHFFFAOYSA-N
XLogP2.80
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-1,2,4-Benzothiadiazine, 3-methyl-, 1,1-dioxide
CID 67760
4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide
CID 198690
4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide
CID 198691
4-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 2137931
4-(3-fluorobenzyl)-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 2137833
7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
CID 2345188
4-[(3-Fluorophenyl)methyl]-3-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 4275514
3-[(E)-2-phenylethenyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 6288420
3-Fluoro-8,9,10,11-tetrahydro-7h-azepino[2,1-c][1,2,4]-benzothiadiazine 5,5-dioxide
CID 11334672
N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine
CID 12921362
4,7-Dimethyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 16732322
4-Ethyl-7-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 16732469

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 162515240) is 3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is CN1C(C2CCCCC2)=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is OXAXMSNCULRKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-16-12-9-5-6-10-13(12)19(17,18)15-14(16)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 278.38 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 162515240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).