N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C12H22Cl2N4OS — CID 119940798

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCN(Cc1cnn(C)c1)C(=O)CC1CSCCN1.Cl.Cl
InChIInChI=1S/C12H20N4OS.2ClH/c1-15(7-10-6-14-16(2)8-10)12(17)5-11-9-18-4-3-13-11;;/h6,8,11,13H,3-5,7,9H2,1-2H3;2*1H
InChIKeyZUXQDTKOLXSWOD-UHFFFAOYSA-N
MW341.31 g/mol
LogP1.32
Rot. Bonds4

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119940798) has the molecular formula C12H22Cl2N4OS and a molecular weight of 341.31 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119940798
Molecular FormulaC12H22Cl2N4OS
Molecular Weight341.31 g/mol
Exact Mass340.09
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCN(Cc1cnn(C)c1)C(=O)CC1CSCCN1.Cl.Cl
InChIInChI=1S/C12H20N4OS.2ClH/c1-15(7-10-6-14-16(2)8-10)12(17)5-11-9-18-4-3-13-11;;/h6,8,11,13H,3-5,7,9H2,1-2H3;2*1H
InChIKeyZUXQDTKOLXSWOD-UHFFFAOYSA-N
XLogP1.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935276
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421619
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422308
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422444
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936632

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119940798) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is CN(Cc1cnn(C)c1)C(=O)CC1CSCCN1.Cl.Cl.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is ZUXQDTKOLXSWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS.2ClH/c1-15(7-10-6-14-16(2)8-10)12(17)5-11-9-18-4-3-13-11;;/h6,8,11,13H,3-5,7,9H2,1-2H3;2*1H.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 341.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119940798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).