2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone

C16H22FN3O3S — CID 120735849

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCS(=O)(=O)CC1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H22FN3O3S/c17-14-3-1-2-13(10-14)15-11-18-4-5-20(15)16(21)12-19-6-8-24(22,23)9-7-19/h1-3,10,15,18H,4-9,11-12H2
InChIKeyFBOGYCWFGZRENP-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.03
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 120735849) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID120735849
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCS(=O)(=O)CC1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H22FN3O3S/c17-14-3-1-2-13(10-14)15-11-18-4-5-20(15)16(21)12-19-6-8-24(22,23)9-7-19/h1-3,10,15,18H,4-9,11-12H2
InChIKeyFBOGYCWFGZRENP-UHFFFAOYSA-N
XLogP0.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737347
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
(1,1-dioxothiolan-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736331
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 120737844
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120735825
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)sulfanylethanone;hydrochloride
CID 120737545
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120736155

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone (CID 120735849) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone is O=C(CN1CCS(=O)(=O)CC1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is FBOGYCWFGZRENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c17-14-3-1-2-13(10-14)15-11-18-4-5-20(15)16(21)12-19-6-8-24(22,23)9-7-19/h1-3,10,15,18H,4-9,11-12H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120735849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).