4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide

C12H21N3O3S — CID 82898353

IUPAC4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
SMILESCOCCCNc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C12H21N3O3S/c1-15(2)19(16,17)10-5-6-11(13)12(9-10)14-7-4-8-18-3/h5-6,9,14H,4,7-8,13H2,1-3H3
InChIKeyKALGNBABSPWQST-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.97
Rot. Bonds7

About 4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide

4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 82898353) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID82898353
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
SMILESCOCCCNc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C12H21N3O3S/c1-15(2)19(16,17)10-5-6-11(13)12(9-10)14-7-4-8-18-3/h5-6,9,14H,4,7-8,13H2,1-3H3
InChIKeyKALGNBABSPWQST-UHFFFAOYSA-N
XLogP0.97
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
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-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43162681
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
5-(dimethylsulfamoyl)-2-(3-methoxypropylamino)benzoic acid
CID 60658564
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-bromo-2-N-(3-methoxypropyl)benzene-1,2-diamine
CID 65343412
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide (CID 82898353) is 4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide is COCCCNc1cc(S(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is KALGNBABSPWQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-15(2)19(16,17)10-5-6-11(13)12(9-10)14-7-4-8-18-3/h5-6,9,14H,4,7-8,13H2,1-3H3.
What are the key properties of 4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide?
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82898353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).