2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide

C13H21N3O2S — CID 104859212

IUPAC2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide
SMILESCCN(CCNS(=O)(=O)c1ccccc1N)C1CC1
InChIInChI=1S/C13H21N3O2S/c1-2-16(11-7-8-11)10-9-15-19(17,18)13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10,14H2,1H3
InChIKeyDWNDVLUYGIQRRN-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.03
Rot. Bonds7

About 2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide

2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide (PubChem CID 104859212) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide
PubChem CID104859212
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide
SMILESCCN(CCNS(=O)(=O)c1ccccc1N)C1CC1
InChIInChI=1S/C13H21N3O2S/c1-2-16(11-7-8-11)10-9-15-19(17,18)13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10,14H2,1H3
InChIKeyDWNDVLUYGIQRRN-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106094069
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-hydrazinylpyridine-4-sulfonamide
CID 114132997
N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106094078
4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 114132964
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115511
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(hydroxymethyl)-1H-pyrazole-5-sulfonamide
CID 106013667
2-amino-N-(3-hexoxypropyl)benzenesulfonamide
CID 58720589
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924476
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 62975887

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide (CID 104859212) is 2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide is CCN(CCNS(=O)(=O)c1ccccc1N)C1CC1.
What is the InChIKey of 2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide?
The InChIKey is DWNDVLUYGIQRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-16(11-7-8-11)10-9-15-19(17,18)13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10,14H2,1H3.
What are the key properties of 2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide?
2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 104859212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).