4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

C17H22N2O4S — CID 167900030

IUPAC4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCN1C(=O)N(CC2(C3CCCCO3)CC2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C17H22N2O4S/c1-18-13-6-2-3-7-14(13)24(21,22)19(16(18)20)12-17(9-10-17)15-8-4-5-11-23-15/h2-3,6-7,15H,4-5,8-12H2,1H3
InChIKeyUVKHUAYGPOJYKV-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.60
Rot. Bonds3

About 4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 167900030) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
PubChem CID167900030
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCN1C(=O)N(CC2(C3CCCCO3)CC2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C17H22N2O4S/c1-18-13-6-2-3-7-14(13)24(21,22)19(16(18)20)12-17(9-10-17)15-8-4-5-11-23-15/h2-3,6-7,15H,4-5,8-12H2,1H3
InChIKeyUVKHUAYGPOJYKV-UHFFFAOYSA-N
XLogP2.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one with MolForge

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Related Compounds

4-methyl-1,1-dioxo-2-[2-[(2R)-oxolan-2-yl]ethyl]-1lambda6,2,4-benzothiadiazin-3-one
CID 125537243
4-Methyl-1,1-dioxo-2-[2-(oxolan-2-yl)ethyl]-1lambda6,2,4-benzothiadiazin-3-one
CID 122155198
4-Methyl-1,1-dioxo-2-(3-propan-2-yloxypropyl)-1lambda6,2,4-benzothiadiazin-3-one
CID 125420449
4-methyl-1,1-dioxo-2-[2-[(2S)-oxolan-2-yl]ethyl]-1lambda6,2,4-benzothiadiazin-3-one
CID 125537244
N-[3-(methylsulfamoyl)phenyl]-4-(oxan-2-yl)piperidine-1-carboxamide
CID 132326127
2-(3,5-dimethylphenyl)-4-[(oxan-4-yl)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 154854256
2-(3-ethylphenyl)-4-[(oxan-4-yl)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 154854258
2-(3,5-dimethylphenyl)-4-[(oxan-3-yl)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 154854289
2-[(2,2-dimethyloxan-4-yl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 167772617
5-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 167772674
6-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 167802629

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (CID 167900030) is 4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is CN1C(=O)N(CC2(C3CCCCO3)CC2)S(=O)(=O)c2ccccc21.
What is the InChIKey of 4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is UVKHUAYGPOJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-18-13-6-2-3-7-14(13)24(21,22)19(16(18)20)12-17(9-10-17)15-8-4-5-11-23-15/h2-3,6-7,15H,4-5,8-12H2,1H3.
What are the key properties of 4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 350.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[1-(oxan-2-yl)cyclopropyl]methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 167900030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).