1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide

C12H20N2O2S — CID 54885724

IUPAC1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
SMILESCCCN(C)S(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C12H20N2O2S/c1-3-7-14(2)17(15,16)10-12-6-4-5-11(8-12)9-13/h4-6,8H,3,7,9-10,13H2,1-2H3
InChIKeyFGLFDLSOUWLRKK-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.32
Rot. Bonds6

About 1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide

1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide (PubChem CID 54885724) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
PubChem CID54885724
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
SMILESCCCN(C)S(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C12H20N2O2S/c1-3-7-14(2)17(15,16)10-12-6-4-5-11(8-12)9-13/h4-6,8H,3,7,9-10,13H2,1-2H3
InChIKeyFGLFDLSOUWLRKK-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
CID 61437561
1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
CID 60978989
1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
CID 103188514
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446893
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 81067735
2-[(3-butylphenyl)methylsulfonyl-methylamino]ethanethioamide
CID 15118206
1-[3-(aminomethyl)phenyl]-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 78973614
N-[[3-(aminomethyl)phenyl]methyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175265

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide (CID 54885724) is 1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide is CCCN(C)S(=O)(=O)Cc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide?
The InChIKey is FGLFDLSOUWLRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-7-14(2)17(15,16)10-12-6-4-5-11(8-12)9-13/h4-6,8H,3,7,9-10,13H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide is sourced from PubChem (CID 54885724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).