N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide

C11H16N2O2S — CID 43460760

IUPACN-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13(11-5-6-11)8-9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,12H2,1H3
InChIKeyZYKOXINUCBIAJX-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.19
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide

N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide (PubChem CID 43460760) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide
PubChem CID43460760
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13(11-5-6-11)8-9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,12H2,1H3
InChIKeyZYKOXINUCBIAJX-UHFFFAOYSA-N
XLogP1.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
CID 61030225
3-[[(4-ethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64748919
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
1-(3-aminophenyl)-N-(2-cyanoethyl)-N-cyclopropylmethanesulfonamide
CID 61126630
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
3-[[(3,4-dimethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64738779
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide
CID 64988060
1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide
CID 62975336

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide (CID 43460760) is N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide is CS(=O)(=O)N(Cc1cccc(N)c1)C1CC1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide?
The InChIKey is ZYKOXINUCBIAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16(14,15)13(11-5-6-11)8-9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,12H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide?
N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide is sourced from PubChem (CID 43460760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).