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

C15H23ClN2O2S — CID 119935441

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1CCNC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-19-14-5-3-2-4-12(14)6-7-17-15(18)10-13-11-20-9-8-16-13;/h2-5,13,16H,6-11H2,1H3,(H,17,18);1H
InChIKeyIVPXDWCMYIPCPA-UHFFFAOYSA-N
MW330.88 g/mol
LogP1.87
Rot. Bonds6

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

N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935441) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935441
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1CCNC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-19-14-5-3-2-4-12(14)6-7-17-15(18)10-13-11-20-9-8-16-13;/h2-5,13,16H,6-11H2,1H3,(H,17,18);1H
InChIKeyIVPXDWCMYIPCPA-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938762
N-[3-(4-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937471
N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935910
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936476
N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938649
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935441) is N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccccc1CCNC(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is IVPXDWCMYIPCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-19-14-5-3-2-4-12(14)6-7-17-15(18)10-13-11-20-9-8-16-13;/h2-5,13,16H,6-11H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).