2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide

C10H17N3O3S — CID 106333993

IUPAC2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc(OC)cc1N
InChIInChI=1S/C10H17N3O3S/c1-12-17(14,15)6-5-13-10-4-3-8(16-2)7-9(10)11/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyPGRFMUZPALRLIS-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.24
Rot. Bonds6

About 2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide

2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide (PubChem CID 106333993) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide
PubChem CID106333993
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc(OC)cc1N
InChIInChI=1S/C10H17N3O3S/c1-12-17(14,15)6-5-13-10-4-3-8(16-2)7-9(10)11/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyPGRFMUZPALRLIS-UHFFFAOYSA-N
XLogP0.24
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide
CID 106333936
2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
CID 114110496
4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline
CID 62872422
2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
CID 106334008
methyl 5-amino-2-[2-(methylsulfamoyl)ethylamino]benzoate
CID 106341902
N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide
CID 63688397
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
4-methoxy-2-methyl-N-(3-methylsulfonylpropyl)aniline
CID 55160613
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxybenzene-1,2-diamine
CID 114126972
2-hydrazinyl-5-methoxyaniline
CID 119013430
4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 60918123
4-methoxy-2-(methoxymethylsulfonyl)aniline
CID 81207309

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide?
The IUPAC name of 2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide (CID 106333993) is 2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide?
The canonical SMILES for 2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ccc(OC)cc1N.
What is the InChIKey of 2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide?
The InChIKey is PGRFMUZPALRLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-12-17(14,15)6-5-13-10-4-3-8(16-2)7-9(10)11/h3-4,7,12-13H,5-6,11H2,1-2H3.
What are the key properties of 2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide?
2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide is sourced from PubChem (CID 106333993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).