4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide

C11H18N2O3S2 — CID 115898464

IUPAC4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide
SMILESCC(NCCS(C)=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S2/c1-9(13-7-8-17(2)14)10-3-5-11(6-4-10)18(12,15)16/h3-6,9,13H,7-8H2,1-2H3,(H2,12,15,16)
InChIKeyIRHXEMWDLDUFFA-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.36
Rot. Bonds6

About 4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide

4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide (PubChem CID 115898464) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide
PubChem CID115898464
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide
SMILESCC(NCCS(C)=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S2/c1-9(13-7-8-17(2)14)10-3-5-11(6-4-10)18(12,15)16/h3-6,9,13H,7-8H2,1-2H3,(H2,12,15,16)
InChIKeyIRHXEMWDLDUFFA-UHFFFAOYSA-N
XLogP0.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 115720610
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
CID 43754787
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324
1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720633
3-[1-(3-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115898473
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
4-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]benzenesulfonamide
CID 63828539
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide (CID 115898464) is 4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide is CC(NCCS(C)=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide?
The InChIKey is IRHXEMWDLDUFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-9(13-7-8-17(2)14)10-3-5-11(6-4-10)18(12,15)16/h3-6,9,13H,7-8H2,1-2H3,(H2,12,15,16).
What are the key properties of 4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide?
4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 115898464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).