1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide

C13H16N2O3S — CID 54886109

IUPAC1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C13H16N2O3S/c14-8-11-3-1-4-12(7-11)10-19(16,17)15-9-13-5-2-6-18-13/h1-7,15H,8-10,14H2
InChIKeyLPWMOPULUBXZCW-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.36
Rot. Bonds6

About 1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide (PubChem CID 54886109) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
PubChem CID54886109
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C13H16N2O3S/c14-8-11-3-1-4-12(7-11)10-19(16,17)15-9-13-5-2-6-18-13/h1-7,15H,8-10,14H2
InChIKeyLPWMOPULUBXZCW-UHFFFAOYSA-N
XLogP1.36
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide 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-[2-(furan-2-yl)ethyl]methanesulfonamide
CID 61472657
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
3-[2-(furan-2-yl)ethylsulfamoylmethyl]benzenecarbothioamide
CID 61470628
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869
1-[3-(aminomethyl)phenyl]-N-(2-methyl-2-methylsulfonylpropyl)methanesulfonamide
CID 79562254
2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 16781445
2-[[3-(aminomethyl)phenyl]methylsulfonylamino]ethyl carbamate
CID 83211237
1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
CID 116786572
3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide
CID 106275923

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide (CID 54886109) is 1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide is NCc1cccc(CS(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The InChIKey is LPWMOPULUBXZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-8-11-3-1-4-12(7-11)10-19(16,17)15-9-13-5-2-6-18-13/h1-7,15H,8-10,14H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 54886109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).