2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C14H21N5O3S — CID 56796063

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCS(=O)(=O)CC1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H21N5O3S/c20-14(12-17-7-9-23(21,22)10-8-17)19-5-3-18(4-6-19)13-11-15-1-2-16-13/h1-2,11H,3-10,12H2
InChIKeyRPMGPMRWBVXUJJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP-1.14
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 56796063) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID56796063
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCS(=O)(=O)CC1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H21N5O3S/c20-14(12-17-7-9-23(21,22)10-8-17)19-5-3-18(4-6-19)13-11-15-1-2-16-13/h1-2,11H,3-10,12H2
InChIKeyRPMGPMRWBVXUJJ-UHFFFAOYSA-N
XLogP-1.14
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
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CID 136537490
2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 61107847
3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
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1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 56796911
2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 42024048
N-methyl-N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167870
5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 18154885
N-[(2R)-2-(dimethylamino)propyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 95133647

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 56796063) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCS(=O)(=O)CC1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is RPMGPMRWBVXUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c20-14(12-17-7-9-23(21,22)10-8-17)19-5-3-18(4-6-19)13-11-15-1-2-16-13/h1-2,11H,3-10,12H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 339.42 g/mol, XLogP of -1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56796063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).