2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline

C15H18N2O2S — CID 62307879

IUPAC2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCc1cccc(C)n1
InChIInChI=1S/C15H18N2O2S/c1-3-20(18,19)15-10-5-4-9-14(15)16-11-13-8-6-7-12(2)17-13/h4-10,16H,3,11H2,1-2H3
InChIKeyMHFDYWONXAPRCV-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.80
Rot. Bonds5

About 2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline

2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 62307879) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
PubChem CID62307879
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCc1cccc(C)n1
InChIInChI=1S/C15H18N2O2S/c1-3-20(18,19)15-10-5-4-9-14(15)16-11-13-8-6-7-12(2)17-13/h4-10,16H,3,11H2,1-2H3
InChIKeyMHFDYWONXAPRCV-UHFFFAOYSA-N
XLogP2.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline
CID 62307021
N-[(6-bromo-2-pyridinyl)methyl]-2-ethylsulfonylaniline
CID 115938075
2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline
CID 62846839
4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine
CID 100690186
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylaniline
CID 79262883
N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
CID 43738191
3-[(2-ethylsulfonylanilino)methyl]-2-methylaniline
CID 103110760
2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115938117
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethylsulfonylaniline
CID 43738227
2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267404
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide
CID 62308229

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline (CID 62307879) is 2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline is CCS(=O)(=O)c1ccccc1NCc1cccc(C)n1.
What is the InChIKey of 2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is MHFDYWONXAPRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-20(18,19)15-10-5-4-9-14(15)16-11-13-8-6-7-12(2)17-13/h4-10,16H,3,11H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 290.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 62307879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).