N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C14H29Cl2N3OS — CID 119941363

IUPACN-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCN1CCCC(CN(C)C(=O)CC2CSCCN2)C1.Cl.Cl
InChIInChI=1S/C14H27N3OS.2ClH/c1-16-6-3-4-12(9-16)10-17(2)14(18)8-13-11-19-7-5-15-13;;/h12-13,15H,3-11H2,1-2H3;2*1H
InChIKeyPAOZAHZYJAWVHG-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941363) has the molecular formula C14H29Cl2N3OS and a molecular weight of 358.38 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941363
Molecular FormulaC14H29Cl2N3OS
Molecular Weight358.38 g/mol
Exact Mass357.14
IUPAC NameN-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCN1CCCC(CN(C)C(=O)CC2CSCCN2)C1.Cl.Cl
InChIInChI=1S/C14H27N3OS.2ClH/c1-16-6-3-4-12(9-16)10-17(2)14(18)8-13-11-19-7-5-15-13;;/h12-13,15H,3-11H2,1-2H3;2*1H
InChIKeyPAOZAHZYJAWVHG-UHFFFAOYSA-N
XLogP1.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66419942
N-(cyclohexylmethyl)-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
CID 115178322
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine
CID 82917200
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-(cyclobutylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770691
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66422861
1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422913
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421814
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119939216
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940798

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941363) is N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is CN1CCCC(CN(C)C(=O)CC2CSCCN2)C1.Cl.Cl.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is PAOZAHZYJAWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS.2ClH/c1-16-6-3-4-12(9-16)10-17(2)14(18)8-13-11-19-7-5-15-13;;/h12-13,15H,3-11H2,1-2H3;2*1H.
What are the key properties of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 358.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).