N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide

C19H24N2O2S — CID 113241813

IUPACN-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-21(14-17-5-3-2-4-6-17)24(22,23)15-18-9-7-16(8-10-18)13-20-19-11-12-19/h2-10,19-20H,11-15H2,1H3
InChIKeyNBOOIRRDFPSGKF-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.90
Rot. Bonds8

About N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide

N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide (PubChem CID 113241813) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide
PubChem CID113241813
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-21(14-17-5-3-2-4-6-17)24(22,23)15-18-9-7-16(8-10-18)13-20-19-11-12-19/h2-10,19-20H,11-15H2,1H3
InChIKeyNBOOIRRDFPSGKF-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
CID 106074813
1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 106032448
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
N-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 139943771
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide
CID 110674320
N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
CID 106029974
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
benzene;N-benzylcyclohexanamine
CID 142622843

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide (CID 113241813) is N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide is CN(Cc1ccccc1)S(=O)(=O)Cc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is NBOOIRRDFPSGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-21(14-17-5-3-2-4-6-17)24(22,23)15-18-9-7-16(8-10-18)13-20-19-11-12-19/h2-10,19-20H,11-15H2,1H3.
What are the key properties of N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide?
N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 113241813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).