3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

C12H24ClN3O3S — CID 120981793

IUPAC3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC1CN(CCC(=O)N2CCNCC2)CCS1(=O)=O.Cl
InChIInChI=1S/C12H23N3O3S.ClH/c1-11-10-14(8-9-19(11,17)18)5-2-12(16)15-6-3-13-4-7-15;/h11,13H,2-10H2,1H3;1H
InChIKeyHPYJULKTOSBIGO-UHFFFAOYSA-N
MW325.86 g/mol
LogP-0.65
Rot. Bonds3

About 3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981793) has the molecular formula C12H24ClN3O3S and a molecular weight of 325.86 g/mol. Its IUPAC name is 3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981793
Molecular FormulaC12H24ClN3O3S
Molecular Weight325.86 g/mol
Exact Mass325.12
IUPAC Name3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC1CN(CCC(=O)N2CCNCC2)CCS1(=O)=O.Cl
InChIInChI=1S/C12H23N3O3S.ClH/c1-11-10-14(8-9-19(11,17)18)5-2-12(16)15-6-3-13-4-7-15;/h11,13H,2-10H2,1H3;1H
InChIKeyHPYJULKTOSBIGO-UHFFFAOYSA-N
XLogP-0.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride with MolForge

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Related Compounds

3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one
CID 120981963
3-(2-methyl-1,4-oxazepan-4-yl)-1-piperazin-1-ylpropan-1-one
CID 55153707
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981790
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
CID 120980560
3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82511431
3-(4-ethylsulfonylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980697
1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82021369
3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981559
3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982909
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981793) is 3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is CC1CN(CCC(=O)N2CCNCC2)CCS1(=O)=O.Cl.
What is the InChIKey of 3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is HPYJULKTOSBIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S.ClH/c1-11-10-14(8-9-19(11,17)18)5-2-12(16)15-6-3-13-4-7-15;/h11,13H,2-10H2,1H3;1H.
What are the key properties of 3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 325.86 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).