1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide

C16H20N2O2S — CID 60979279

IUPAC1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C16H20N2O2S/c1-13-5-2-3-8-16(13)11-18-21(19,20)12-15-7-4-6-14(9-15)10-17/h2-9,18H,10-12,17H2,1H3
InChIKeyGGFRYBBHRXCMIJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.07
Rot. Bonds6

About 1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide (PubChem CID 60979279) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
PubChem CID60979279
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C16H20N2O2S/c1-13-5-2-3-8-16(13)11-18-21(19,20)12-15-7-4-6-14(9-15)10-17/h2-9,18H,10-12,17H2,1H3
InChIKeyGGFRYBBHRXCMIJ-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
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1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
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1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide
CID 60978443
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
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1-[3-(aminomethyl)phenyl]-N-(2-methyl-2-methylsulfonylpropyl)methanesulfonamide
CID 79562254
N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide
CID 131961898
3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide
CID 106275923
1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
CID 116786572
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
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CID 106070788

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide (CID 60979279) is 1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide is Cc1ccccc1CNS(=O)(=O)Cc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide?
The InChIKey is GGFRYBBHRXCMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13-5-2-3-8-16(13)11-18-21(19,20)12-15-7-4-6-14(9-15)10-17/h2-9,18H,10-12,17H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 60979279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).