2-(3-amino-5-methylanilino)-N-methylethanesulfonamide

C10H17N3O2S — CID 106334106

IUPAC2-(3-amino-5-methylanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(C)cc(N)c1
InChIInChI=1S/C10H17N3O2S/c1-8-5-9(11)7-10(6-8)13-3-4-16(14,15)12-2/h5-7,12-13H,3-4,11H2,1-2H3
InChIKeyDHZNQCNHQWOPNL-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.54
Rot. Bonds5

About 2-(3-amino-5-methylanilino)-N-methylethanesulfonamide

2-(3-amino-5-methylanilino)-N-methylethanesulfonamide (PubChem CID 106334106) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(3-amino-5-methylanilino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(3-amino-5-methylanilino)-N-methylethanesulfonamide
PubChem CID106334106
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(3-amino-5-methylanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(C)cc(N)c1
InChIInChI=1S/C10H17N3O2S/c1-8-5-9(11)7-10(6-8)13-3-4-16(14,15)12-2/h5-7,12-13H,3-4,11H2,1-2H3
InChIKeyDHZNQCNHQWOPNL-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106333992
3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine
CID 112646930
N-[2-(3-amino-5-methylanilino)ethyl]acetamide
CID 59089860
2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide
CID 114174884
4-(3-amino-5-methylanilino)butan-2-ol
CID 112647909
N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 112647819
2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
CID 106334008
5-methyl-3-N-(3-methylpentyl)benzene-1,3-diamine
CID 178004989
3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333290
5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106341908
5-methyl-3-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzene-1,3-diamine
CID 112647815
2-(3-amino-5-methoxyanilino)ethanesulfonamide
CID 80730733

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylanilino)-N-methylethanesulfonamide?
The IUPAC name of 2-(3-amino-5-methylanilino)-N-methylethanesulfonamide (CID 106334106) is 2-(3-amino-5-methylanilino)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(3-amino-5-methylanilino)-N-methylethanesulfonamide?
The canonical SMILES for 2-(3-amino-5-methylanilino)-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1cc(C)cc(N)c1.
What is the InChIKey of 2-(3-amino-5-methylanilino)-N-methylethanesulfonamide?
The InChIKey is DHZNQCNHQWOPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-5-9(11)7-10(6-8)13-3-4-16(14,15)12-2/h5-7,12-13H,3-4,11H2,1-2H3.
What are the key properties of 2-(3-amino-5-methylanilino)-N-methylethanesulfonamide?
2-(3-amino-5-methylanilino)-N-methylethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylanilino)-N-methylethanesulfonamide is sourced from PubChem (CID 106334106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).