N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride

C15H22ClN3O2S — CID 119454684

IUPACN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)CSc1ccccc1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-17(11-14(19)18-9-7-16-8-10-18)15(20)12-21-13-5-3-2-4-6-13;/h2-6,16H,7-12H2,1H3;1H
InChIKeySMBJNQVBOMXEHH-UHFFFAOYSA-N
MW343.88 g/mol
LogP1.09
Rot. Bonds5

About N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride (PubChem CID 119454684) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride
PubChem CID119454684
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)CSc1ccccc1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-17(11-14(19)18-9-7-16-8-10-18)15(20)12-21-13-5-3-2-4-6-13;/h2-6,16H,7-12H2,1H3;1H
InChIKeySMBJNQVBOMXEHH-UHFFFAOYSA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone
CID 61031966
2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454929
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylpropanamide
CID 119454636
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603133
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-phenylacetamide
CID 119915329
1-[2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235996
2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61018145
2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454727
2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454848
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride?
The IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride (CID 119454684) is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride is CN(CC(=O)N1CCNCC1)C(=O)CSc1ccccc1.Cl.
What is the InChIKey of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride?
The InChIKey is SMBJNQVBOMXEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c1-17(11-14(19)18-9-7-16-8-10-18)15(20)12-21-13-5-3-2-4-6-13;/h2-6,16H,7-12H2,1H3;1H.
What are the key properties of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride?
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 1.09, 5 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-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 119454684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).