1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride

C11H22ClN3O3S — CID 66546919

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCN1CCN(CC(=O)N2CCS(=O)(=O)CC2)CC1.Cl
InChIInChI=1S/C11H21N3O3S.ClH/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-18(16,17)9-7-14;/h2-10H2,1H3;1H
InChIKeyDQHDKKDAWPYXCX-UHFFFAOYSA-N
MW311.84 g/mol
LogP-1.09
Rot. Bonds2

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 66546919) has the molecular formula C11H22ClN3O3S and a molecular weight of 311.84 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID66546919
Molecular FormulaC11H22ClN3O3S
Molecular Weight311.84 g/mol
Exact Mass311.11
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCN1CCN(CC(=O)N2CCS(=O)(=O)CC2)CC1.Cl
InChIInChI=1S/C11H21N3O3S.ClH/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-18(16,17)9-7-14;/h2-10H2,1H3;1H
InChIKeyDQHDKKDAWPYXCX-UHFFFAOYSA-N
XLogP-1.09
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride (CID 66546919) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride is CN1CCN(CC(=O)N2CCS(=O)(=O)CC2)CC1.Cl.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is DQHDKKDAWPYXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S.ClH/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-18(16,17)9-7-14;/h2-10H2,1H3;1H.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of -1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 66546919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).