5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide

C10H17N3O3S2 — CID 113494452

IUPAC5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide
SMILESCCS(=O)CCNc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O3S2/c1-2-17(14)6-5-13-9-4-3-8(11)7-10(9)18(12,15)16/h3-4,7,13H,2,5-6,11H2,1H3,(H2,12,15,16)
InChIKeyRLXWGSORDCSSCS-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.10
Rot. Bonds6

About 5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide

5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide (PubChem CID 113494452) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide
PubChem CID113494452
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide
SMILESCCS(=O)CCNc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O3S2/c1-2-17(14)6-5-13-9-4-3-8(11)7-10(9)18(12,15)16/h3-4,7,13H,2,5-6,11H2,1H3,(H2,12,15,16)
InChIKeyRLXWGSORDCSSCS-UHFFFAOYSA-N
XLogP0.10
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721
5-amino-2-(2-but-3-enoxyethylamino)benzenesulfonamide
CID 106394307
3-[2-(4-amino-2-sulfamoylanilino)ethyl]-1,1-dimethylurea
CID 83116433
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
CID 83013156
5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004471
5-amino-2-(2-ethylhexylamino)benzenesulfonamide
CID 107819806
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450
5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide
CID 114115545
5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide
CID 113472684
5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83177707
N-(2-ethylsulfinylethyl)-2,4-dinitroaniline
CID 115626937

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide?
The IUPAC name of 5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide (CID 113494452) is 5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide is CCS(=O)CCNc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide?
The InChIKey is RLXWGSORDCSSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-2-17(14)6-5-13-9-4-3-8(11)7-10(9)18(12,15)16/h3-4,7,13H,2,5-6,11H2,1H3,(H2,12,15,16).
What are the key properties of 5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide?
5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide has a molecular weight of 291.40 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide is sourced from PubChem (CID 113494452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).