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

C15H18N2O2S — CID 60979524

IUPAC1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C15H18N2O2S/c1-17(15-8-3-2-4-9-15)20(18,19)12-14-7-5-6-13(10-14)11-16/h2-10H,11-12,16H2,1H3
InChIKeyATMVDGQQINXUPK-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.11
Rot. Bonds5

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

1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide (PubChem CID 60979524) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
PubChem CID60979524
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C15H18N2O2S/c1-17(15-8-3-2-4-9-15)20(18,19)12-14-7-5-6-13(10-14)11-16/h2-10H,11-12,16H2,1H3
InChIKeyATMVDGQQINXUPK-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446893
1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 107733485
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide (CID 60979524) is 1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide is CN(c1ccccc1)S(=O)(=O)Cc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide?
The InChIKey is ATMVDGQQINXUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17(15-8-3-2-4-9-15)20(18,19)12-14-7-5-6-13(10-14)11-16/h2-10H,11-12,16H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.11, 5 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-phenylmethanesulfonamide is sourced from PubChem (CID 60979524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).