2-amino-3-(3-methoxypropylamino)benzenesulfonamide

C10H17N3O3S — CID 112674652

IUPAC2-amino-3-(3-methoxypropylamino)benzenesulfonamide
SMILESCOCCCNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C10H17N3O3S/c1-16-7-3-6-13-8-4-2-5-9(10(8)11)17(12,14)15/h2,4-5,13H,3,6-7,11H2,1H3,(H2,12,14,15)
InChIKeyHDUVZDRXULWUNV-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.36
Rot. Bonds6

About 2-amino-3-(3-methoxypropylamino)benzenesulfonamide

2-amino-3-(3-methoxypropylamino)benzenesulfonamide (PubChem CID 112674652) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-amino-3-(3-methoxypropylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(3-methoxypropylamino)benzenesulfonamide
PubChem CID112674652
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-amino-3-(3-methoxypropylamino)benzenesulfonamide
SMILESCOCCCNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C10H17N3O3S/c1-16-7-3-6-13-8-4-2-5-9(10(8)11)17(12,14)15/h2,4-5,13H,3,6-7,11H2,1H3,(H2,12,14,15)
InChIKeyHDUVZDRXULWUNV-UHFFFAOYSA-N
XLogP0.36
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.36
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

2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992668
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106036483
2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 112674921
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide
CID 79896730
2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide
CID 115992752
2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 107116608
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine
CID 114041355
N-(3-methoxypropyl)-2-sulfamoylbenzamide
CID 43164716
3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide
CID 114816608

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methoxypropylamino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(3-methoxypropylamino)benzenesulfonamide (CID 112674652) is 2-amino-3-(3-methoxypropylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(3-methoxypropylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(3-methoxypropylamino)benzenesulfonamide is COCCCNc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-(3-methoxypropylamino)benzenesulfonamide?
The InChIKey is HDUVZDRXULWUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-16-7-3-6-13-8-4-2-5-9(10(8)11)17(12,14)15/h2,4-5,13H,3,6-7,11H2,1H3,(H2,12,14,15).
What are the key properties of 2-amino-3-(3-methoxypropylamino)benzenesulfonamide?
2-amino-3-(3-methoxypropylamino)benzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methoxypropylamino)benzenesulfonamide is sourced from PubChem (CID 112674652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).