5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide

C12H22N4O2S — CID 79896226

IUPAC5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide
SMILESCc1c(N(C)CCN(C)C)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H22N4O2S/c1-9-11(16(4)6-5-15(2)3)7-10(13)8-12(9)19(14,17)18/h7-8H,5-6,13H2,1-4H3,(H2,14,17,18)
InChIKeyFSTWQCBSXLHJBY-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.22
Rot. Bonds5

About 5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide

5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide (PubChem CID 79896226) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide
PubChem CID79896226
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide
SMILESCc1c(N(C)CCN(C)C)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H22N4O2S/c1-9-11(16(4)6-5-15(2)3)7-10(13)8-12(9)19(14,17)18/h7-8H,5-6,13H2,1-4H3,(H2,14,17,18)
InChIKeyFSTWQCBSXLHJBY-UHFFFAOYSA-N
XLogP0.22
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79895968
5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide
CID 79896823
5-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylbenzenesulfonamide
CID 79900394
5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 79899789
5-amino-3-[bis(2-methoxyethyl)amino]-2-methylbenzenesulfonamide
CID 79899801
5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide
CID 79901551
5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide
CID 79896553
5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide
CID 79900402
5-amino-3-hydroxy-2-methylbenzenesulfonamide
CID 79904666
5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
CID 79900084

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide (CID 79896226) is 5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide is Cc1c(N(C)CCN(C)C)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide?
The InChIKey is FSTWQCBSXLHJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-11(16(4)6-5-15(2)3)7-10(13)8-12(9)19(14,17)18/h7-8H,5-6,13H2,1-4H3,(H2,14,17,18).
What are the key properties of 5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide?
5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 79896226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).