N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H24ClN3O2S — CID 119938821

IUPACN-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)CC1CSCCN1)C1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-19(16(21)11-13-12-23-10-8-18-13)15-7-9-20(17(15)22)14-5-3-2-4-6-14;/h2-6,13,15,18H,7-12H2,1H3;1H
InChIKeyMCIBMPPGJSKFSW-UHFFFAOYSA-N
MW369.92 g/mol
LogP1.77
Rot. Bonds4

About N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938821) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938821
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC NameN-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)CC1CSCCN1)C1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-19(16(21)11-13-12-23-10-8-18-13)15-7-9-20(17(15)22)14-5-3-2-4-6-14;/h2-6,13,15,18H,7-12H2,1H3;1H
InChIKeyMCIBMPPGJSKFSW-UHFFFAOYSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940318
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939260
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783362
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119776472
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908
7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide
CID 119776437
1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
CID 124887163
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938821) is N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CN(C(=O)CC1CSCCN1)C1CCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is MCIBMPPGJSKFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c1-19(16(21)11-13-12-23-10-8-18-13)15-7-9-20(17(15)22)14-5-3-2-4-6-14;/h2-6,13,15,18H,7-12H2,1H3;1H.
What are the key properties of N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).