N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H24ClN3O2S — CID 119936632

IUPACN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C16H23N3O2S.ClH/c1-19(11-13-5-3-2-4-6-13)16(21)10-18-15(20)9-14-12-22-8-7-17-14;/h2-6,14,17H,7-12H2,1H3,(H,18,20);1H
InChIKeyHWYSHPWQHWCSLK-UHFFFAOYSA-N
MW357.91 g/mol
LogP1.28
Rot. Bonds6

About N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936632) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936632
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C16H23N3O2S.ClH/c1-19(11-13-5-3-2-4-6-13)16(21)10-18-15(20)9-14-12-22-8-7-17-14;/h2-6,14,17H,7-12H2,1H3,(H,18,20);1H
InChIKeyHWYSHPWQHWCSLK-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941241
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-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935276
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941711
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936632) is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CN(Cc1ccccc1)C(=O)CNC(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is HWYSHPWQHWCSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S.ClH/c1-19(11-13-5-3-2-4-6-13)16(21)10-18-15(20)9-14-12-22-8-7-17-14;/h2-6,14,17H,7-12H2,1H3,(H,18,20);1H.
What are the key properties of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 357.91 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).