N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide

C13H20N2O2S — CID 64988006

IUPACN-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide
SMILESCCN(Cc1ccc(N)cc1)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H20N2O2S/c1-2-15(18(16,17)10-12-3-4-12)9-11-5-7-13(14)8-6-11/h5-8,12H,2-4,9-10,14H2,1H3
InChIKeyPFQPORKMVUMRDL-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.83
Rot. Bonds6

About N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide

N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide (PubChem CID 64988006) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide
PubChem CID64988006
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide
SMILESCCN(Cc1ccc(N)cc1)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H20N2O2S/c1-2-15(18(16,17)10-12-3-4-12)9-11-5-7-13(14)8-6-11/h5-8,12H,2-4,9-10,14H2,1H3
InChIKeyPFQPORKMVUMRDL-UHFFFAOYSA-N
XLogP1.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide
CID 43458794
N-[(4-aminophenyl)methyl]-N-ethyl-2-methylsulfonylethanesulfonamide
CID 63245077
N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide
CID 64988060
N-[(4-aminophenyl)methyl]-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103520822
N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 43458785
1-amino-4-[[propyl(sulfamoyl)amino]methyl]benzene
CID 114958655
1-amino-4-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114814046
N-[(4-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460051
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 61114484
N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride
CID 120584146
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide (CID 64988006) is N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide is CCN(Cc1ccc(N)cc1)S(=O)(=O)CC1CC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide?
The InChIKey is PFQPORKMVUMRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-15(18(16,17)10-12-3-4-12)9-11-5-7-13(14)8-6-11/h5-8,12H,2-4,9-10,14H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide?
N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide is sourced from PubChem (CID 64988006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).