4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine

C11H13N3O2S — CID 67530308

IUPAC4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine
SMILESNc1ccc2c(c1)S(=O)(=O)N=CN2C1CCC1
InChIInChI=1S/C11H13N3O2S/c12-8-4-5-10-11(6-8)17(15,16)13-7-14(10)9-2-1-3-9/h4-7,9H,1-3,12H2
InChIKeyFNEAFTGEKAYTAH-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.36
Rot. Bonds1

About 4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine

4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine (PubChem CID 67530308) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine.

Molecular Properties

Compound Name4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine
PubChem CID67530308
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine
SMILESNc1ccc2c(c1)S(=O)(=O)N=CN2C1CCC1
InChIInChI=1S/C11H13N3O2S/c12-8-4-5-10-11(6-8)17(15,16)13-7-14(10)9-2-1-3-9/h4-7,9H,1-3,12H2
InChIKeyFNEAFTGEKAYTAH-UHFFFAOYSA-N
XLogP1.36
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67530722
6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67529599
4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67531143
7-amino-4-cyclohexyl-1,4-benzothiazin-3-one
CID 84615614
7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one
CID 84615562
4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine
CID 16732462
2-cyclobutylindazol-5-amine
CID 90308963
2-cyclobutylindazol-6-amine
CID 90309050
4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline
CID 91681120
2-(4-amino-2-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 113361181
2-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]pyridin-4-amine
CID 107342821
4-[4-(azetidin-1-yl)piperidin-1-yl]-3-methylaniline
CID 142621533

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine?
The IUPAC name of 4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine (CID 67530308) is 4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine.
What is the SMILES notation for 4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine?
The canonical SMILES for 4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine is Nc1ccc2c(c1)S(=O)(=O)N=CN2C1CCC1.
What is the InChIKey of 4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine?
The InChIKey is FNEAFTGEKAYTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-8-4-5-10-11(6-8)17(15,16)13-7-14(10)9-2-1-3-9/h4-7,9H,1-3,12H2.
What are the key properties of 4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine?
4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine has a molecular weight of 251.31 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine is sourced from PubChem (CID 67530308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).