1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole

C9H16N2O2S — CID 117188344

IUPAC1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole
SMILESCc1cnc(CS(=O)(=O)C(C)C)n1C
InChIInChI=1S/C9H16N2O2S/c1-7(2)14(12,13)6-9-10-5-8(3)11(9)4/h5,7H,6H2,1-4H3
InChIKeyDFYWWKDTUQYZIY-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.05
Rot. Bonds3

About 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole

1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole (PubChem CID 117188344) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole
PubChem CID117188344
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole
SMILESCc1cnc(CS(=O)(=O)C(C)C)n1C
InChIInChI=1S/C9H16N2O2S/c1-7(2)14(12,13)6-9-10-5-8(3)11(9)4/h5,7H,6H2,1-4H3
InChIKeyDFYWWKDTUQYZIY-UHFFFAOYSA-N
XLogP1.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,5-dimethylimidazol-2-yl)propan-2-one
CID 59225880
2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole
CID 117188566
4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole
CID 117187589
1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole
CID 117192971
2-(ethoxymethyl)-1,5-dimethylimidazole
CID 117188439
1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117185368
2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
CID 117192612
4-[(1,5-dimethylimidazol-2-yl)methoxy]phenol
CID 117188417
N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine
CID 106732104
4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine
CID 117216202
3-[(2-methyl-1,2,4-triazol-3-yl)methylsulfonyl]butan-1-amine
CID 81195552
1-methyl-3-(propan-2-ylsulfonylmethyl)pyrazole-5-carboxylic acid
CID 117215953

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole?
The IUPAC name of 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole (CID 117188344) is 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole.
What is the SMILES notation for 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole?
The canonical SMILES for 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole is Cc1cnc(CS(=O)(=O)C(C)C)n1C.
What is the InChIKey of 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole?
The InChIKey is DFYWWKDTUQYZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-7(2)14(12,13)6-9-10-5-8(3)11(9)4/h5,7H,6H2,1-4H3.
What are the key properties of 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole?
1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole has a molecular weight of 216.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole is sourced from PubChem (CID 117188344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).