1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one

C7H12FNO3S — CID 118531086

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one
SMILESCC(F)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H12FNO3S/c1-6(8)7(10)9-2-4-13(11,12)5-3-9/h6H,2-5H2,1H3
InChIKeyAJNDEHQPZKIMMZ-UHFFFAOYSA-N
MW209.24 g/mol
LogP-0.40
Rot. Bonds1

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one (PubChem CID 118531086) has the molecular formula C7H12FNO3S and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one
PubChem CID118531086
Molecular FormulaC7H12FNO3S
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one
SMILESCC(F)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H12FNO3S/c1-6(8)7(10)9-2-4-13(11,12)5-3-9/h6H,2-5H2,1H3
InChIKeyAJNDEHQPZKIMMZ-UHFFFAOYSA-N
XLogP-0.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 49070293
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone
CID 63262345
N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
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1-(4-Ethylsulfonylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 84384347
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone
CID 103515351
2,2-Difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 103516135
2,2,2-Trifluoro-1-(3-methyl-1,1-dioxidothiomorpholino)ethan-1-one
CID 103683496
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103733485

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one (CID 118531086) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one is CC(F)C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one?
The InChIKey is AJNDEHQPZKIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3S/c1-6(8)7(10)9-2-4-13(11,12)5-3-9/h6H,2-5H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one has a molecular weight of 209.24 g/mol, XLogP of -0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one is sourced from PubChem (CID 118531086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).