[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone

C15H16FN3O4S — CID 22515218

IUPAC[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone
SMILESCN1C(C(=O)N2CCOCC2)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C15H16FN3O4S/c1-18-14(15(20)19-6-8-23-9-7-19)10-13(17-24(18,21)22)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyGANBBKUBJGSOKX-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.55
Rot. Bonds2

About [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone

[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone (PubChem CID 22515218) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone
PubChem CID22515218
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone
SMILESCN1C(C(=O)N2CCOCC2)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C15H16FN3O4S/c1-18-14(15(20)19-6-8-23-9-7-19)10-13(17-24(18,21)22)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyGANBBKUBJGSOKX-UHFFFAOYSA-N
XLogP0.55
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(4-methylphenyl)-3-(4-morpholinylcarbonyl)-2H-1,2,6-thiadiazine 1,1-dioxide
CID 17253528
2-Methyl-5-(4-methylphenyl)-3-(piperidylcarbonyl)-1,2,6-thiadiazine-1,1-dione
CID 17253529
3-[(4-Ethylpiperazinyl)carbonyl]-2-methyl-5-(4-methylphenyl)-1,2,6-thiadiazine-1,1-dione
CID 17253541
N,N-diethyl-5-(4-fluorophenyl)-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 6625664
N-cyclohexyl-5-(4-fluorophenyl)-N,2-dimethyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515215
(4-Ethyl-1-piperazinyl)[5-(4-fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515224
1,4-Dioxa-8-azaspiro[4.5]dec-8-YL[5-(4-fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515226
N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253527
N-(2-methoxy-isopropyl)[2-methyl-5-(4-methylphenyl)-1,1-dioxo(1,2,6-thiadiazin-3-yl)]carboxamide
CID 17253534
[5-(4-Fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL](4-methyl-1-piperazinyl)methanone
CID 22515207
[5-(4-Fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL](2-methyl-1-piperidinyl)methanone
CID 22515210
(2,6-Dimethyl-1-piperidinyl)[5-(4-fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515211

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone (CID 22515218) is [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone is CN1C(C(=O)N2CCOCC2)=CC(c2ccc(F)cc2)=NS1(=O)=O.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is GANBBKUBJGSOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c1-18-14(15(20)19-6-8-23-9-7-19)10-13(17-24(18,21)22)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone?
[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 353.38 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22515218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).