(2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone

C13H15F2NO2S — CID 97053355

IUPAC(2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(F)cc2F)CC[S@@]1=O
InChIInChI=1S/C13H15F2NO2S/c1-13(2)8-16(5-6-19(13)18)12(17)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6,8H2,1-2H3/t19-/m0/s1
InChIKeyZQVOBYBVRAYGSM-IBGZPJMESA-N
MW287.33 g/mol
LogP1.95
Rot. Bonds1

About (2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone

(2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone (PubChem CID 97053355) has the molecular formula C13H15F2NO2S and a molecular weight of 287.33 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone
PubChem CID97053355
Molecular FormulaC13H15F2NO2S
Molecular Weight287.33 g/mol
Exact Mass287.08
IUPAC Name(2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(F)cc2F)CC[S@@]1=O
InChIInChI=1S/C13H15F2NO2S/c1-13(2)8-16(5-6-19(13)18)12(17)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6,8H2,1-2H3/t19-/m0/s1
InChIKeyZQVOBYBVRAYGSM-IBGZPJMESA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
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(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
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[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 71856530
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162442117
(2-bromo-4-fluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036772
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648
(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299654
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone (CID 97053355) is (2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone is CC1(C)CN(C(=O)c2ccc(F)cc2F)CC[S@@]1=O.
What is the InChIKey of (2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone?
The InChIKey is ZQVOBYBVRAYGSM-IBGZPJMESA-N. The full InChI is InChI=1S/C13H15F2NO2S/c1-13(2)8-16(5-6-19(13)18)12(17)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6,8H2,1-2H3/t19-/m0/s1.
What are the key properties of (2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone?
(2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone has a molecular weight of 287.33 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone is sourced from PubChem (CID 97053355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).