6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine

C11H14ClN3O2S2 — CID 174407244

IUPAC6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine
SMILESNN1C(C2CCCCC2)=NS(=O)(=O)c2sc(Cl)cc21
InChIInChI=1S/C11H14ClN3O2S2/c12-9-6-8-11(18-9)19(16,17)14-10(15(8)13)7-4-2-1-3-5-7/h6-7H,1-5,13H2
InChIKeyXVOJULCVOZLIKR-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.76
Rot. Bonds1

About 6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine

6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine (PubChem CID 174407244) has the molecular formula C11H14ClN3O2S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine.

Molecular Properties

Compound Name6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine
PubChem CID174407244
Molecular FormulaC11H14ClN3O2S2
Molecular Weight319.84 g/mol
Exact Mass319.02
IUPAC Name6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine
SMILESNN1C(C2CCCCC2)=NS(=O)(=O)c2sc(Cl)cc21
InChIInChI=1S/C11H14ClN3O2S2/c12-9-6-8-11(18-9)19(16,17)14-10(15(8)13)7-4-2-1-3-5-7/h6-7H,1-5,13H2
InChIKeyXVOJULCVOZLIKR-UHFFFAOYSA-N
XLogP2.76
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine with MolForge

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Related Compounds

3-cyclopentyl-5,6-dimethyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine
CID 151156883
5-chloro-3-cyclopentyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine
CID 151698571
7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine
CID 150513883
(2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine
CID 104518425
6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67529599
6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67530234
7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 156888750
4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
CID 82486187
3-chloro-5-cyclopentyl-2-methylthiophene;ethane
CID 142451002
4,6-dichloro-2-cycloundecylpyrimidine
CID 123163685
2-chloro-5-cyclohexylthiophene-3-carboxylic acid
CID 114748450
1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63854549

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
The IUPAC name of 6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine (CID 174407244) is 6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine.
What is the SMILES notation for 6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
The canonical SMILES for 6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine is NN1C(C2CCCCC2)=NS(=O)(=O)c2sc(Cl)cc21.
What is the InChIKey of 6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
The InChIKey is XVOJULCVOZLIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S2/c12-9-6-8-11(18-9)19(16,17)14-10(15(8)13)7-4-2-1-3-5-7/h6-7H,1-5,13H2.
What are the key properties of 6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine?
6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine has a molecular weight of 319.84 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclohexyl-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-4-amine is sourced from PubChem (CID 174407244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).