5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide

C12H21N3O3S — CID 79895968

IUPAC5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide
SMILESCOCCCN(C)c1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H21N3O3S/c1-9-11(15(2)5-4-6-18-3)7-10(13)8-12(9)19(14,16)17/h7-8H,4-6,13H2,1-3H3,(H2,14,16,17)
InChIKeyWIABDNLPIADGTC-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.70
Rot. Bonds6

About 5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide

5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide (PubChem CID 79895968) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide
PubChem CID79895968
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide
SMILESCOCCCN(C)c1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H21N3O3S/c1-9-11(15(2)5-4-6-18-3)7-10(13)8-12(9)19(14,16)17/h7-8H,4-6,13H2,1-3H3,(H2,14,16,17)
InChIKeyWIABDNLPIADGTC-UHFFFAOYSA-N
XLogP0.70
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.70
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

5-amino-3-[bis(2-methoxyethyl)amino]-2-methylbenzenesulfonamide
CID 79899801
5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide
CID 79896226
5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 79905154
5-amino-3-[2-cyanoethyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79897338
5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide
CID 79896730
5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide
CID 79896823
5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide
CID 104559989
5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 79899789
5-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylbenzenesulfonamide
CID 79900394
1-N-(3-methoxypropyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62985550
2-[3-methoxypropyl(methyl)amino]-5-sulfamoylbenzoic acid
CID 63009379
3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
CID 65387897

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide (CID 79895968) is 5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide is COCCCN(C)c1cc(N)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide?
The InChIKey is WIABDNLPIADGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9-11(15(2)5-4-6-18-3)7-10(13)8-12(9)19(14,16)17/h7-8H,4-6,13H2,1-3H3,(H2,14,16,17).
What are the key properties of 5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide?
5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 79895968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).