N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H27ClN2OS — CID 119935281

IUPACN-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(C)c1ccc(CN(C)C(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-13(2)15-6-4-14(5-7-15)11-19(3)17(20)10-16-12-21-9-8-18-16;/h4-7,13,16,18H,8-12H2,1-3H3;1H
InChIKeyNSWXYNFMYSBOHM-UHFFFAOYSA-N
MW342.94 g/mol
LogP3.29
Rot. Bonds5

About N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935281) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935281
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC NameN-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(C)c1ccc(CN(C)C(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-13(2)15-6-4-14(5-7-15)11-19(3)17(20)10-16-12-21-9-8-18-16;/h4-7,13,16,18H,8-12H2,1-3H3;1H
InChIKeyNSWXYNFMYSBOHM-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935635
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935276
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940798
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422444
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936632
N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 99850140
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119937905
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935281) is N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(C)c1ccc(CN(C)C(=O)CC2CSCCN2)cc1.Cl.
What is the InChIKey of N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is NSWXYNFMYSBOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS.ClH/c1-13(2)15-6-4-14(5-7-15)11-19(3)17(20)10-16-12-21-9-8-18-16;/h4-7,13,16,18H,8-12H2,1-3H3;1H.
What are the key properties of N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 342.94 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).