N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C13H20ClN3O3S2 — CID 119937072

IUPACN-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)CC2CSCCN2)c1.Cl
InChIInChI=1S/C13H19N3O3S2.ClH/c1-14-21(18,19)12-4-2-3-10(7-12)16-13(17)8-11-9-20-6-5-15-11;/h2-4,7,11,14-15H,5-6,8-9H2,1H3,(H,16,17);1H
InChIKeyQFSXROFDAWNCPZ-UHFFFAOYSA-N
MW365.91 g/mol
LogP1.05
Rot. Bonds5

About N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119937072) has the molecular formula C13H20ClN3O3S2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119937072
Molecular FormulaC13H20ClN3O3S2
Molecular Weight365.91 g/mol
Exact Mass365.06
IUPAC NameN-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)CC2CSCCN2)c1.Cl
InChIInChI=1S/C13H19N3O3S2.ClH/c1-14-21(18,19)12-4-2-3-10(7-12)16-13(17)8-11-9-20-6-5-15-11;/h2-4,7,11,14-15H,5-6,8-9H2,1H3,(H,16,17);1H
InChIKeyQFSXROFDAWNCPZ-UHFFFAOYSA-N
XLogP1.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940299
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938584
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934970
N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939122
N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934956
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942534
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940067
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428
N-[3-(propan-2-yloxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937948
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119937072) is N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CNS(=O)(=O)c1cccc(NC(=O)CC2CSCCN2)c1.Cl.
What is the InChIKey of N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is QFSXROFDAWNCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S2.ClH/c1-14-21(18,19)12-4-2-3-10(7-12)16-13(17)8-11-9-20-6-5-15-11;/h2-4,7,11,14-15H,5-6,8-9H2,1H3,(H,16,17);1H.
What are the key properties of N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119937072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).