5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide

C13H23N3O3S — CID 103287104

IUPAC5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide
SMILESCCCC(COC)Nc1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C13H23N3O3S/c1-4-5-11(9-19-3)16-12-7-6-10(14)8-13(12)20(17,18)15-2/h6-8,11,15-16H,4-5,9,14H2,1-3H3
InChIKeyIQGJJGUBQSVPKX-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.40
Rot. Bonds8

About 5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide

5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide (PubChem CID 103287104) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide
PubChem CID103287104
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide
SMILESCCCC(COC)Nc1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C13H23N3O3S/c1-4-5-11(9-19-3)16-12-7-6-10(14)8-13(12)20(17,18)15-2/h6-8,11,15-16H,4-5,9,14H2,1-3H3
InChIKeyIQGJJGUBQSVPKX-UHFFFAOYSA-N
XLogP1.40
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
CID 103286872
2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 62119321
5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 103286878
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide
CID 103286765
5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
CID 106290279
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide
CID 103287107
2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 80645596
5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
CID 103286871

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide (CID 103287104) is 5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide is CCCC(COC)Nc1ccc(N)cc1S(=O)(=O)NC.
What is the InChIKey of 5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide?
The InChIKey is IQGJJGUBQSVPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-4-5-11(9-19-3)16-12-7-6-10(14)8-13(12)20(17,18)15-2/h6-8,11,15-16H,4-5,9,14H2,1-3H3.
What are the key properties of 5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide?
5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).