N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C13H20ClN3O3S2 — CID 119935518

IUPACN-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CC2CSCCN2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C13H19N3O3S2.ClH/c1-9-2-3-10(6-12(9)21(14,18)19)16-13(17)7-11-8-20-5-4-15-11;/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)(H2,14,18,19);1H
InChIKeyREAOQXRVVGVYID-UHFFFAOYSA-N
MW365.91 g/mol
LogP1.10
Rot. Bonds4

About N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935518) has the molecular formula C13H20ClN3O3S2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935518
Molecular FormulaC13H20ClN3O3S2
Molecular Weight365.91 g/mol
Exact Mass365.06
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CC2CSCCN2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C13H19N3O3S2.ClH/c1-9-2-3-10(6-12(9)21(14,18)19)16-13(17)7-11-8-20-5-4-15-11;/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)(H2,14,18,19);1H
InChIKeyREAOQXRVVGVYID-UHFFFAOYSA-N
XLogP1.10
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;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

N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936303
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
2,2-dimethyl-N-[2-methyl-5-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119938998
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119939619
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936668

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935518) is N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1ccc(NC(=O)CC2CSCCN2)cc1S(N)(=O)=O.Cl.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is REAOQXRVVGVYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S2.ClH/c1-9-2-3-10(6-12(9)21(14,18)19)16-13(17)7-11-8-20-5-4-15-11;/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)(H2,14,18,19);1H.
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).