2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline

C14H19N3O2S — CID 62957712

IUPAC2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H19N3O2S/c1-3-9-17-10-8-15-14(17)11-16-12-6-4-5-7-13(12)20(2,18)19/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyWAUFJQVHUYPSPM-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.31
Rot. Bonds6

About 2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline

2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline (PubChem CID 62957712) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
PubChem CID62957712
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H19N3O2S/c1-3-9-17-10-8-15-14(17)11-16-12-6-4-5-7-13(12)20(2,18)19/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyWAUFJQVHUYPSPM-UHFFFAOYSA-N
XLogP2.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295525
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine
CID 62955967
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507
N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 79041847
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
CID 43724692
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62351719

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline (CID 62957712) is 2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline is CCCn1ccnc1CNc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline?
The InChIKey is WAUFJQVHUYPSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-9-17-10-8-15-14(17)11-16-12-6-4-5-7-13(12)20(2,18)19/h4-8,10,16H,3,9,11H2,1-2H3.
What are the key properties of 2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline?
2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline has a molecular weight of 293.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 62957712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).