4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide

C11H19N3O3S — CID 82898084

IUPAC4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCCCOC)c1
InChIInChI=1S/C11H19N3O3S/c1-13-18(15,16)9-4-5-10(12)11(8-9)14-6-3-7-17-2/h4-5,8,13-14H,3,6-7,12H2,1-2H3
InChIKeyDLUKSNRDJNUTNE-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.63
Rot. Bonds7

About 4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide

4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide (PubChem CID 82898084) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
PubChem CID82898084
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCCCOC)c1
InChIInChI=1S/C11H19N3O3S/c1-13-18(15,16)9-4-5-10(12)11(8-9)14-6-3-7-17-2/h4-5,8,13-14H,3,6-7,12H2,1-2H3
InChIKeyDLUKSNRDJNUTNE-UHFFFAOYSA-N
XLogP0.63
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
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

4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 82901368
3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
CID 54936668
4-bromo-2-N-(3-methoxypropyl)benzene-1,2-diamine
CID 65343412
3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62843446
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710
2-amino-4-(4-methoxybutylamino)-N-methylbenzenesulfonamide
CID 80646158
4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
CID 107819850
4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 82901841
4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 58355547

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide (CID 82898084) is 4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NCCCOC)c1.
What is the InChIKey of 4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide?
The InChIKey is DLUKSNRDJNUTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-13-18(15,16)9-4-5-10(12)11(8-9)14-6-3-7-17-2/h4-5,8,13-14H,3,6-7,12H2,1-2H3.
What are the key properties of 4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide?
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82898084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).