N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H22ClN3O2S — CID 119935667

IUPACN-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C16H21N3O2S.ClH/c20-15(10-12-11-22-9-7-17-12)18-13-4-1-2-5-14(13)19-8-3-6-16(19)21;/h1-2,4-5,12,17H,3,6-11H2,(H,18,20);1H
InChIKeyZPEPXUGYYRSZSR-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.27
Rot. Bonds4

About N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935667) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935667
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C16H21N3O2S.ClH/c20-15(10-12-11-22-9-7-17-12)18-13-4-1-2-5-14(13)19-8-3-6-16(19)21;/h1-2,4-5,12,17H,3,6-11H2,(H,18,20);1H
InChIKeyZPEPXUGYYRSZSR-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941383
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935481
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935630
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935877
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941058
2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935046
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938023
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935667) is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is ZPEPXUGYYRSZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c20-15(10-12-11-22-9-7-17-12)18-13-4-1-2-5-14(13)19-8-3-6-16(19)21;/h1-2,4-5,12,17H,3,6-11H2,(H,18,20);1H.
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).