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

C15H18FN3O3S — CID 6625628

IUPACN-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NC(C)(C)C)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C15H18FN3O3S/c1-15(2,3)17-14(20)13-9-12(18-23(21,22)19(13)4)10-5-7-11(16)8-6-10/h5-9H,1-4H3,(H,17,20)
InChIKeyBOUZSGKEOYJHMO-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.60
Rot. Bonds2

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

N-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 6625628) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID6625628
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NC(C)(C)C)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C15H18FN3O3S/c1-15(2,3)17-14(20)13-9-12(18-23(21,22)19(13)4)10-5-7-11(16)8-6-10/h5-9H,1-4H3,(H,17,20)
InChIKeyBOUZSGKEOYJHMO-UHFFFAOYSA-N
XLogP1.60
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 6625628) is N-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)NC(C)(C)C)=CC(c2ccc(F)cc2)=NS1(=O)=O.
What is the InChIKey of N-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is BOUZSGKEOYJHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-15(2,3)17-14(20)13-9-12(18-23(21,22)19(13)4)10-5-7-11(16)8-6-10/h5-9H,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 6625628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).