2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline

C10H12F2N2O2S — CID 113325166

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline
SMILESNc1c(F)cc(F)cc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H12F2N2O2S/c11-7-5-8(12)10(13)9(6-7)14-1-3-17(15,16)4-2-14/h5-6H,1-4,13H2
InChIKeyOSMWKTUWNIVEDC-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.78
Rot. Bonds1

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline

2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline (PubChem CID 113325166) has the molecular formula C10H12F2N2O2S and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline
PubChem CID113325166
Molecular FormulaC10H12F2N2O2S
Molecular Weight262.28 g/mol
Exact Mass262.06
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline
SMILESNc1c(F)cc(F)cc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H12F2N2O2S/c11-7-5-8(12)10(13)9(6-7)14-1-3-17(15,16)4-2-14/h5-6H,1-4,13H2
InChIKeyOSMWKTUWNIVEDC-UHFFFAOYSA-N
XLogP0.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-6-piperidin-1-ylaniline
CID 115506411
2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882483
2,4-difluoro-6-(1,4-oxazepan-4-yl)aniline
CID 115506948
4-(2-amino-3,5-difluorophenyl)-1-methylpiperazin-2-one
CID 113325320
tert-butyl 4-(2-amino-3,5-difluorophenyl)piperazine-1-carboxylate
CID 104933334
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]ethanamine
CID 63783750
2-(3,4-dimethoxypyrrolidin-1-yl)-4,6-difluoroaniline
CID 103530569
2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline
CID 113325091
2-(4-ethyl-3-methylpiperazin-1-yl)-4,6-difluoroaniline
CID 115507002
1-(2-amino-3,5-difluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509375
1-(2-amino-3,5-difluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672056
4-(2-amino-3,5-difluorophenyl)-1,3,3-trimethylpiperazin-2-one
CID 115507159

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline (CID 113325166) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline is Nc1c(F)cc(F)cc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline?
The InChIKey is OSMWKTUWNIVEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S/c11-7-5-8(12)10(13)9(6-7)14-1-3-17(15,16)4-2-14/h5-6H,1-4,13H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline has a molecular weight of 262.28 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline is sourced from PubChem (CID 113325166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).