(2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C11H11F2NO2S — CID 62662160

IUPAC(2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cccc(F)c1F)N1CCS(=O)CC1
InChIInChI=1S/C11H11F2NO2S/c12-9-3-1-2-8(10(9)13)11(15)14-4-6-17(16)7-5-14/h1-3H,4-7H2
InChIKeyFZBPINJFKKXMJJ-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.17
Rot. Bonds1

About (2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 62662160) has the molecular formula C11H11F2NO2S and a molecular weight of 259.28 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID62662160
Molecular FormulaC11H11F2NO2S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name(2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cccc(F)c1F)N1CCS(=O)CC1
InChIInChI=1S/C11H11F2NO2S/c12-9-3-1-2-8(10(9)13)11(15)14-4-6-17(16)7-5-14/h1-3H,4-7H2
InChIKeyFZBPINJFKKXMJJ-UHFFFAOYSA-N
XLogP1.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
(2,3-difluorophenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 113234293
(2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036846
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721506
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 105385344
1-(2,3-difluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63030779
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 82701609
(2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 115937034
(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428714
(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872512
(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95601930

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 62662160) is (2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is O=C(c1cccc(F)c1F)N1CCS(=O)CC1.
What is the InChIKey of (2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is FZBPINJFKKXMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2S/c12-9-3-1-2-8(10(9)13)11(15)14-4-6-17(16)7-5-14/h1-3H,4-7H2.
What are the key properties of (2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 259.28 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 62662160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).