3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide

C13H24N4O3S — CID 62843446

IUPAC3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCN(C)CCOC)c(N)c1
InChIInChI=1S/C13H24N4O3S/c1-15-21(18,19)11-4-5-13(12(14)10-11)16-6-7-17(2)8-9-20-3/h4-5,10,15-16H,6-9,14H2,1-3H3
InChIKeyNQPPHCAJKTYSOH-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.17
Rot. Bonds9

About 3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide

3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide (PubChem CID 62843446) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
PubChem CID62843446
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCN(C)CCOC)c(N)c1
InChIInChI=1S/C13H24N4O3S/c1-15-21(18,19)11-4-5-13(12(14)10-11)16-6-7-17(2)8-9-20-3/h4-5,10,15-16H,6-9,14H2,1-3H3
InChIKeyNQPPHCAJKTYSOH-UHFFFAOYSA-N
XLogP0.17
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43162681
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 62498772
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
2-amino-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845016
4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 65342624
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzenesulfonamide
CID 115358102
1-N-(2-methoxyethyl)-4-propan-2-ylsulfonylbenzene-1,2-diamine
CID 68870804
2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992668

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide (CID 62843446) is 3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCN(C)CCOC)c(N)c1.
What is the InChIKey of 3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is NQPPHCAJKTYSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-15-21(18,19)11-4-5-13(12(14)10-11)16-6-7-17(2)8-9-20-3/h4-5,10,15-16H,6-9,14H2,1-3H3.
What are the key properties of 3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide?
3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 62843446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).