N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline

C15H18N2O2S — CID 82739933

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline
SMILESCCc1cccnc1CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-12-5-4-10-16-15(12)11-17-13-6-8-14(9-7-13)20(2,18)19/h4-10,17H,3,11H2,1-2H3
InChIKeyRJLXLXVVWLBPIL-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.66
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline

N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline (PubChem CID 82739933) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline
PubChem CID82739933
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline
SMILESCCc1cccnc1CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-12-5-4-10-16-15(12)11-17-13-6-8-14(9-7-13)20(2,18)19/h4-10,17H,3,11H2,1-2H3
InChIKeyRJLXLXVVWLBPIL-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-2-methylpyridin-4-amine
CID 113482648
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
1-N-[(3-ethyl-2-pyridinyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749506
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506
2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 82741640
3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one
CID 104788661
3-[(4-ethylsulfonylanilino)methyl]-N,N-dimethylpyridin-2-amine
CID 100663511
2,3-diethylpyridine
CID 14747123
N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82739373
4-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650022
N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 82736468
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-methylsulfonylaniline
CID 133451850

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline (CID 82739933) is N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline is CCc1cccnc1CNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline?
The InChIKey is RJLXLXVVWLBPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-12-5-4-10-16-15(12)11-17-13-6-8-14(9-7-13)20(2,18)19/h4-10,17H,3,11H2,1-2H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline?
N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline has a molecular weight of 290.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline is sourced from PubChem (CID 82739933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).