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

C10H17N3O4S2 — CID 106333936

IUPAC2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C10H17N3O4S2/c1-12-19(16,17)6-5-13-10-4-3-8(7-9(10)11)18(2,14)15/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyJYADIIQKUGJLTF-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.37
Rot. Bonds6

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

2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide (PubChem CID 106333936) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide
PubChem CID106333936
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C10H17N3O4S2/c1-12-19(16,17)6-5-13-10-4-3-8(7-9(10)11)18(2,14)15/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyJYADIIQKUGJLTF-UHFFFAOYSA-N
XLogP-0.37
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide
CID 106333993
1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 54932454
1-N-(4-methylsulfanylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 113487228
4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol
CID 61238883
2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
CID 106334008
1-N-[2-(2-methylphenyl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 79756350
1-N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 114465328
3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide
CID 106275284
4-methylsulfonyl-1-N-(2-morpholin-4-ylethyl)benzene-1,2-diamine
CID 43448000
4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 60918123
3-(2-amino-4-methylsulfonylanilino)-2-methylpropane-1,2-diol
CID 66170096

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide?
The IUPAC name of 2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide (CID 106333936) is 2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide?
The canonical SMILES for 2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ccc(S(C)(=O)=O)cc1N.
What is the InChIKey of 2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide?
The InChIKey is JYADIIQKUGJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-12-19(16,17)6-5-13-10-4-3-8(7-9(10)11)18(2,14)15/h3-4,7,12-13H,5-6,11H2,1-2H3.
What are the key properties of 2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide?
2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide has a molecular weight of 307.40 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide is sourced from PubChem (CID 106333936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).