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

C11H23Cl2N3OS — CID 66546739

IUPAC2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride
SMILESCN1CCN(CC(=O)N2CCSCC2)CC1.Cl.Cl
InChIInChI=1S/C11H21N3OS.2ClH/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-16-9-7-14;;/h2-10H2,1H3;2*1H
InChIKeyXQSJTMMCZJTSCU-UHFFFAOYSA-N
MW316.30 g/mol
LogP0.65
Rot. Bonds2

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

2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride (PubChem CID 66546739) has the molecular formula C11H23Cl2N3OS and a molecular weight of 316.30 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride
PubChem CID66546739
Molecular FormulaC11H23Cl2N3OS
Molecular Weight316.30 g/mol
Exact Mass315.09
IUPAC Name2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride
SMILESCN1CCN(CC(=O)N2CCSCC2)CC1.Cl.Cl
InChIInChI=1S/C11H21N3OS.2ClH/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-16-9-7-14;;/h2-10H2,1H3;2*1H
InChIKeyXQSJTMMCZJTSCU-UHFFFAOYSA-N
XLogP0.65
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride (CID 66546739) is 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride is CN1CCN(CC(=O)N2CCSCC2)CC1.Cl.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride?
The InChIKey is XQSJTMMCZJTSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS.2ClH/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-16-9-7-14;;/h2-10H2,1H3;2*1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride?
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride has a molecular weight of 316.30 g/mol, XLogP of 0.65, 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;dihydrochloride is sourced from PubChem (CID 66546739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).