5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide

C10H17N3O3S — CID 103286700

IUPAC5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N(C)CCO
InChIInChI=1S/C10H17N3O3S/c1-12-17(15,16)10-7-8(11)3-4-9(10)13(2)5-6-14/h3-4,7,12,14H,5-6,11H2,1-2H3
InChIKeyJCQZAPQSDDINCK-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.39
Rot. Bonds5

About 5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide

5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide (PubChem CID 103286700) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
PubChem CID103286700
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N(C)CCO
InChIInChI=1S/C10H17N3O3S/c1-12-17(15,16)10-7-8(11)3-4-9(10)13(2)5-6-14/h3-4,7,12,14H,5-6,11H2,1-2H3
InChIKeyJCQZAPQSDDINCK-UHFFFAOYSA-N
XLogP-0.39
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-[2-cyanoethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286583
5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 103286902
5-amino-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
CID 103287528
5-amino-2-[cyclopentylmethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103287062
4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 82898644
5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide
CID 103286757
5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide
CID 103286765
5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 103286581
5-amino-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenesulfonamide
CID 103286941
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286784
5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 103287184

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide (CID 103286700) is 5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1N(C)CCO.
What is the InChIKey of 5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is JCQZAPQSDDINCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-12-17(15,16)10-7-8(11)3-4-9(10)13(2)5-6-14/h3-4,7,12,14H,5-6,11H2,1-2H3.
What are the key properties of 5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide?
5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103286700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).