2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide

C11H19N3O3S — CID 58586704

IUPAC2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide
SMILESCc1cc(N)ccc1NCCS(=O)(=O)NCCO
InChIInChI=1S/C11H19N3O3S/c1-9-8-10(12)2-3-11(9)13-5-7-18(16,17)14-4-6-15/h2-3,8,13-15H,4-7,12H2,1H3
InChIKeyLMNKTZUGUCVNKM-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.10
Rot. Bonds7

About 2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide

2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide (PubChem CID 58586704) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide
PubChem CID58586704
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide
SMILESCc1cc(N)ccc1NCCS(=O)(=O)NCCO
InChIInChI=1S/C11H19N3O3S/c1-9-8-10(12)2-3-11(9)13-5-7-18(16,17)14-4-6-15/h2-3,8,13-15H,4-7,12H2,1H3
InChIKeyLMNKTZUGUCVNKM-UHFFFAOYSA-N
XLogP-0.10
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
3-(4-amino-2-methylanilino)propanoate
CID 23104650
2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
CID 106334008
2-(4-amino-2-chloroanilino)ethanol;sulfuric acid
CID 70564055
2-(4-amino-2-ethylanilino)ethanol
CID 54391550
3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol
CID 23104306
methyl 5-amino-2-[2-(methylsulfamoyl)ethylamino]benzoate
CID 106341902
ethyl 4-(4-amino-2-methylanilino)butanoate
CID 58596159
ethyl 5-amino-2-(2-methylsulfonylethylamino)benzoate
CID 61312260
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol
CID 106167522
1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 43343022

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide?
The IUPAC name of 2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide (CID 58586704) is 2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide?
The canonical SMILES for 2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide is Cc1cc(N)ccc1NCCS(=O)(=O)NCCO.
What is the InChIKey of 2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide?
The InChIKey is LMNKTZUGUCVNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-8-10(12)2-3-11(9)13-5-7-18(16,17)14-4-6-15/h2-3,8,13-15H,4-7,12H2,1H3.
What are the key properties of 2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide?
2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.10, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide is sourced from PubChem (CID 58586704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).