1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide

C13H21N3O2S — CID 62975336

IUPAC1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide
SMILESCN(CCNS(=O)(=O)Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C13H21N3O2S/c1-16(13-5-6-13)8-7-15-19(17,18)10-11-3-2-4-12(14)9-11/h2-4,9,13,15H,5-8,10,14H2,1H3
InChIKeyLBYZTXOPQYDWGF-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.78
Rot. Bonds7

About 1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide

1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide (PubChem CID 62975336) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide
PubChem CID62975336
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide
SMILESCN(CCNS(=O)(=O)Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C13H21N3O2S/c1-16(13-5-6-13)8-7-15-19(17,18)10-11-3-2-4-12(14)9-11/h2-4,9,13,15H,5-8,10,14H2,1H3
InChIKeyLBYZTXOPQYDWGF-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
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

1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
CID 43255852
1-(3-aminophenyl)-N-(2-methylsulfanylethyl)methanesulfonamide
CID 63983289
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
1-(3-aminophenyl)-N-(3-ethoxypropyl)methanesulfonamide
CID 43256176
1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63823532
1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide
CID 61126237
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
CID 62976254
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide (CID 62975336) is 1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide is CN(CCNS(=O)(=O)Cc1cccc(N)c1)C1CC1.
What is the InChIKey of 1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide?
The InChIKey is LBYZTXOPQYDWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(13-5-6-13)8-7-15-19(17,18)10-11-3-2-4-12(14)9-11/h2-4,9,13,15H,5-8,10,14H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide?
1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 62975336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).