4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide

C12H19N3O2S2 — CID 82900313

IUPAC4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(N2CCSCC2)c1
InChIInChI=1S/C12H19N3O2S2/c1-14(2)19(16,17)10-3-4-11(13)12(9-10)15-5-7-18-8-6-15/h3-4,9H,5-8,13H2,1-2H3
InChIKeyWXPGDXJVTMIBMI-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.07
Rot. Bonds3

About 4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide

4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide (PubChem CID 82900313) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide
PubChem CID82900313
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(N2CCSCC2)c1
InChIInChI=1S/C12H19N3O2S2/c1-14(2)19(16,17)10-3-4-11(13)12(9-10)15-5-7-18-8-6-15/h3-4,9H,5-8,13H2,1-2H3
InChIKeyWXPGDXJVTMIBMI-UHFFFAOYSA-N
XLogP1.07
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
4-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylbenzenesulfonamide
CID 82899679
4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
CID 113375357
4-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 115964836
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide
CID 82898104
4-amino-N,N-dimethyl-3-(2-methylazepan-1-yl)benzenesulfonamide
CID 82902880
4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
CID 82902010
4-amino-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 102777266
3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 43372899
4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 82903767
4-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)-N,N-dimethylbenzenesulfonamide
CID 82898967
4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 3024163

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide (CID 82900313) is 4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(N2CCSCC2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide?
The InChIKey is WXPGDXJVTMIBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-14(2)19(16,17)10-3-4-11(13)12(9-10)15-5-7-18-8-6-15/h3-4,9H,5-8,13H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide?
4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide has a molecular weight of 301.44 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 82900313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).