2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride

C11H22ClN3OS — CID 141282444

IUPAC2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
SMILESCN1CCN(CC(=O)N2CCSCC2)CC1.Cl
InChIInChI=1S/C11H21N3OS.ClH/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-16-9-7-14;/h2-10H2,1H3;1H
InChIKeyNFUAMCDKKKYWLH-UHFFFAOYSA-N
MW279.84 g/mol
LogP0.23
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride

2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride (PubChem CID 141282444) has the molecular formula C11H22ClN3OS and a molecular weight of 279.84 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
PubChem CID141282444
Molecular FormulaC11H22ClN3OS
Molecular Weight279.84 g/mol
Exact Mass279.12
IUPAC Name2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
SMILESCN1CCN(CC(=O)N2CCSCC2)CC1.Cl
InChIInChI=1S/C11H21N3OS.ClH/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-16-9-7-14;/h2-10H2,1H3;1H
InChIKeyNFUAMCDKKKYWLH-UHFFFAOYSA-N
XLogP0.23
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride
CID 66546739
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 156836891
1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone
CID 67583660
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 171833651
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone
CID 170861389
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride (CID 141282444) is 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride is CN1CCN(CC(=O)N2CCSCC2)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride?
The InChIKey is NFUAMCDKKKYWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS.ClH/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-16-9-7-14;/h2-10H2,1H3;1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride?
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride has a molecular weight of 279.84 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 141282444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).