5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide

C10H17N3O3S — CID 103286731

IUPAC5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCC(C)O
InChIInChI=1S/C10H17N3O3S/c1-7(14)6-13-9-4-3-8(11)5-10(9)17(15,16)12-2/h3-5,7,12-14H,6,11H2,1-2H3
InChIKeyFTRFEOFNFMCXOT-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.03
Rot. Bonds5

About 5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide

5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide (PubChem CID 103286731) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
PubChem CID103286731
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCC(C)O
InChIInChI=1S/C10H17N3O3S/c1-7(14)6-13-9-4-3-8(11)5-10(9)17(15,16)12-2/h3-5,7,12-14H,6,11H2,1-2H3
InChIKeyFTRFEOFNFMCXOT-UHFFFAOYSA-N
XLogP-0.03
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-(2-hydroxypropylamino)-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-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 103287457
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
CID 92979789
5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
CID 106290279
5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
CID 103287233
5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide
CID 103287162
2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
CID 103286872
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
5-amino-2-[(4-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286616
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589
5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
CID 103287354

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide (CID 103286731) is 5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NCC(C)O.
What is the InChIKey of 5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide?
The InChIKey is FTRFEOFNFMCXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7(14)6-13-9-4-3-8(11)5-10(9)17(15,16)12-2/h3-5,7,12-14H,6,11H2,1-2H3.
What are the key properties of 5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide?
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103286731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).