2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide

C13H21N3O3S — CID 102739860

IUPAC2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OCCN(C)C2CC2)cc1N
InChIInChI=1S/C13H21N3O3S/c1-15-20(17,18)13-6-5-11(9-12(13)14)19-8-7-16(2)10-3-4-10/h5-6,9-10,15H,3-4,7-8,14H2,1-2H3
InChIKeyPZQNATCNFSRCTM-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.65
Rot. Bonds7

About 2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide

2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide (PubChem CID 102739860) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide
PubChem CID102739860
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OCCN(C)C2CC2)cc1N
InChIInChI=1S/C13H21N3O3S/c1-15-20(17,18)13-6-5-11(9-12(13)14)19-8-7-16(2)10-3-4-10/h5-6,9-10,15H,3-4,7-8,14H2,1-2H3
InChIKeyPZQNATCNFSRCTM-UHFFFAOYSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.65
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

2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 62975887
2-amino-4-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 80640860
2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide
CID 80646385
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 80641737
2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 80646384
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
5-[2-[cyclopropyl(methyl)amino]ethoxy]-2-(trifluoromethyl)benzenecarbothioamide
CID 102740113
2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide
CID 80645589
2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 61113499
2-amino-N-methyl-4-[methyl(oxan-4-ylmethyl)amino]benzenesulfonamide
CID 80640873
2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide
CID 106596553

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide (CID 102739860) is 2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(OCCN(C)C2CC2)cc1N.
What is the InChIKey of 2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide?
The InChIKey is PZQNATCNFSRCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-15-20(17,18)13-6-5-11(9-12(13)14)19-8-7-16(2)10-3-4-10/h5-6,9-10,15H,3-4,7-8,14H2,1-2H3.
What are the key properties of 2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide?
2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide is sourced from PubChem (CID 102739860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).