2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide

C10H17N3O3S — CID 80645934

IUPAC2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCCO)cc1N
InChIInChI=1S/C10H17N3O3S/c1-12-17(15,16)10-4-3-8(7-9(10)11)13-5-2-6-14/h3-4,7,12-14H,2,5-6,11H2,1H3
InChIKeyMJJOYNGXKGAIGD-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.03
Rot. Bonds6

About 2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide

2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide (PubChem CID 80645934) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
PubChem CID80645934
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCCO)cc1N
InChIInChI=1S/C10H17N3O3S/c1-12-17(15,16)10-4-3-8(7-9(10)11)13-5-2-6-14/h3-4,7,12-14H,2,5-6,11H2,1H3
InChIKeyMJJOYNGXKGAIGD-UHFFFAOYSA-N
XLogP-0.03
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-4-(octylamino)benzenesulfonamide
CID 115566200
2-amino-4-(4-methoxybutylamino)-N-methylbenzenesulfonamide
CID 80646158
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-N-methyl-4-(3-propoxypropylamino)benzenesulfonamide
CID 82942729
2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
CID 83202387
2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide
CID 106007200
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 80646367
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
CID 80642093
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide (CID 80645934) is 2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCCO)cc1N.
What is the InChIKey of 2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide?
The InChIKey is MJJOYNGXKGAIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-12-17(15,16)10-4-3-8(7-9(10)11)13-5-2-6-14/h3-4,7,12-14H,2,5-6,11H2,1H3.
What are the key properties of 2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide?
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 80645934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).