2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline

C14H17N3O2S — CID 62846839

IUPAC2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCc1cnc(C)cn1
InChIInChI=1S/C14H17N3O2S/c1-3-20(18,19)14-7-5-4-6-13(14)17-10-12-9-15-11(2)8-16-12/h4-9,17H,3,10H2,1-2H3
InChIKeyKWVLAKLNSRGDTK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.19
Rot. Bonds5

About 2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline

2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline (PubChem CID 62846839) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline
PubChem CID62846839
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCc1cnc(C)cn1
InChIInChI=1S/C14H17N3O2S/c1-3-20(18,19)14-7-5-4-6-13(14)17-10-12-9-15-11(2)8-16-12/h4-9,17H,3,10H2,1-2H3
InChIKeyKWVLAKLNSRGDTK-UHFFFAOYSA-N
XLogP2.19
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 62307879
4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine
CID 100690186
N-[(6-bromo-2-pyridinyl)methyl]-2-ethylsulfonylaniline
CID 115938075
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62847397
N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598850
2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62846126
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylsulfonylaniline
CID 107123989
N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline
CID 62307021
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine
CID 80825043
N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide
CID 62841224
N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
CID 43738191

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline?
The IUPAC name of 2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline (CID 62846839) is 2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline?
The canonical SMILES for 2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline is CCS(=O)(=O)c1ccccc1NCc1cnc(C)cn1.
What is the InChIKey of 2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline?
The InChIKey is KWVLAKLNSRGDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-20(18,19)14-7-5-4-6-13(14)17-10-12-9-15-11(2)8-16-12/h4-9,17H,3,10H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline?
2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline has a molecular weight of 291.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline is sourced from PubChem (CID 62846839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).