N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C18H22FN3O3S — CID 22515215

IUPACN-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN(C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C)C1CCCCC1
InChIInChI=1S/C18H22FN3O3S/c1-21(15-6-4-3-5-7-15)18(23)17-12-16(20-26(24,25)22(17)2)13-8-10-14(19)11-9-13/h8-12,15H,3-7H2,1-2H3
InChIKeyGKNPOZAQAFKFKH-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.48
Rot. Bonds3

About N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515215) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515215
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN(C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C)C1CCCCC1
InChIInChI=1S/C18H22FN3O3S/c1-21(15-6-4-3-5-7-15)18(23)17-12-16(20-26(24,25)22(17)2)13-8-10-14(19)11-9-13/h8-12,15H,3-7H2,1-2H3
InChIKeyGKNPOZAQAFKFKH-UHFFFAOYSA-N
XLogP2.48
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 22515215) is N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CN(C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is GKNPOZAQAFKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-21(15-6-4-3-5-7-15)18(23)17-12-16(20-26(24,25)22(17)2)13-8-10-14(19)11-9-13/h8-12,15H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).