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

C17H20FN3O3S — CID 22515212

IUPACN-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NC2CCCCC2)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C17H20FN3O3S/c1-21-16(17(22)19-14-5-3-2-4-6-14)11-15(20-25(21,23)24)12-7-9-13(18)10-8-12/h7-11,14H,2-6H2,1H3,(H,19,22)
InChIKeyPFKQIVSJURRQQY-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.14
Rot. Bonds3

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

N-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515212) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515212
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC NameN-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NC2CCCCC2)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C17H20FN3O3S/c1-21-16(17(22)19-14-5-3-2-4-6-14)11-15(20-25(21,23)24)12-7-9-13(18)10-8-12/h7-11,14H,2-6H2,1H3,(H,19,22)
InChIKeyPFKQIVSJURRQQY-UHFFFAOYSA-N
XLogP2.14
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 22515212) is N-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)NC2CCCCC2)=CC(c2ccc(F)cc2)=NS1(=O)=O.
What is the InChIKey of N-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is PFKQIVSJURRQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-21-16(17(22)19-14-5-3-2-4-6-14)11-15(20-25(21,23)24)12-7-9-13(18)10-8-12/h7-11,14H,2-6H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).