N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

C15H23ClN2O2S — CID 119935259

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1CN(C)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-17(10-12-5-3-4-6-14(12)19-2)15(18)9-13-11-20-8-7-16-13;/h3-6,13,16H,7-11H2,1-2H3;1H
InChIKeyCNGDKVHMSAAITG-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.17
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935259) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935259
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1CN(C)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-17(10-12-5-3-4-6-14(12)19-2)15(18)9-13-11-20-8-7-16-13;/h3-6,13,16H,7-11H2,1-2H3;1H
InChIKeyCNGDKVHMSAAITG-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936476
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937075
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940858
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119936231
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935731
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 64610785
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935259) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccccc1CN(C)C(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is CNGDKVHMSAAITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-17(10-12-5-3-4-6-14(12)19-2)15(18)9-13-11-20-8-7-16-13;/h3-6,13,16H,7-11H2,1-2H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).