N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide

C14H22N2O2S — CID 64988060

IUPACN-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide
SMILESCCCN(Cc1cccc(N)c1)S(=O)(=O)CC1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-8-16(19(17,18)11-12-6-7-12)10-13-4-3-5-14(15)9-13/h3-5,9,12H,2,6-8,10-11,15H2,1H3
InChIKeyJRPHCOOGNGAKMU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.22
Rot. Bonds7

About N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide

N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide (PubChem CID 64988060) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide
PubChem CID64988060
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide
SMILESCCCN(Cc1cccc(N)c1)S(=O)(=O)CC1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-8-16(19(17,18)11-12-6-7-12)10-13-4-3-5-14(15)9-13/h3-5,9,12H,2,6-8,10-11,15H2,1H3
InChIKeyJRPHCOOGNGAKMU-UHFFFAOYSA-N
XLogP2.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.22
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

N-[(3-aminophenyl)methyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 43383975
3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline
CID 61455986
N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64988006
3-[[(4-ethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64748919
N-[(3-aminophenyl)methyl]-3-bromo-N-propylthiophene-2-sulfonamide
CID 61457749
methyl 2-[(3-aminophenyl)methylsulfonyl-propylamino]acetate
CID 61107386
N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide
CID 43460760
N-[(3-aminophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175662
3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline
CID 115212038
N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
CID 43459677
N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine
CID 107135006
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide (CID 64988060) is N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide is CCCN(Cc1cccc(N)c1)S(=O)(=O)CC1CC1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide?
The InChIKey is JRPHCOOGNGAKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-8-16(19(17,18)11-12-6-7-12)10-13-4-3-5-14(15)9-13/h3-5,9,12H,2,6-8,10-11,15H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide?
N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide is sourced from PubChem (CID 64988060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).