7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine

C15H20ClN3O2S — CID 150513883

IUPAC7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine
SMILESC[C@@H](C1=NS(=O)(=O)c2cc(Cl)ccc2N1N)C1CCCCC1
InChIInChI=1S/C15H20ClN3O2S/c1-10(11-5-3-2-4-6-11)15-18-22(20,21)14-9-12(16)7-8-13(14)19(15)17/h7-11H,2-6,17H2,1H3/t10-/m1/s1
InChIKeyIAKNZHNVOSVZRL-SNVBAGLBSA-N
MW341.86 g/mol
LogP3.34
Rot. Bonds2

About 7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine

7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine (PubChem CID 150513883) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine.

Molecular Properties

Compound Name7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine
PubChem CID150513883
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine
SMILESC[C@@H](C1=NS(=O)(=O)c2cc(Cl)ccc2N1N)C1CCCCC1
InChIInChI=1S/C15H20ClN3O2S/c1-10(11-5-3-2-4-6-11)15-18-22(20,21)14-9-12(16)7-8-13(14)19(15)17/h7-11H,2-6,17H2,1H3/t10-/m1/s1
InChIKeyIAKNZHNVOSVZRL-SNVBAGLBSA-N
XLogP3.34
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine with MolForge

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Related Compounds

(2R)-2-(4-amino-7-chloro-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)propan-1-ol
CID 154701976
7-chloro-3-(4-methylhexan-2-yl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine
CID 172855810
5-chloro-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine
CID 151698571
(S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine
CID 125466626
6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine
CID 174407244
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine
CID 63546409
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate
CID 40795600
(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
CID 81392727
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
CID 61015427
7-chloro-N-cyclohexyl-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-imine
CID 140995467

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine?
The IUPAC name of 7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine (CID 150513883) is 7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine.
What is the SMILES notation for 7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine?
The canonical SMILES for 7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine is C[C@@H](C1=NS(=O)(=O)c2cc(Cl)ccc2N1N)C1CCCCC1.
What is the InChIKey of 7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine?
The InChIKey is IAKNZHNVOSVZRL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-10(11-5-3-2-4-6-11)15-18-22(20,21)14-9-12(16)7-8-13(14)19(15)17/h7-11H,2-6,17H2,1H3/t10-/m1/s1.
What are the key properties of 7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine?
7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine has a molecular weight of 341.86 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine is sourced from PubChem (CID 150513883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).