1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole

C10H18N2O2S — CID 117192971

IUPAC1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole
SMILESCCn1c(CS(=O)(=O)C(C)C)cnc1C
InChIInChI=1S/C10H18N2O2S/c1-5-12-9(4)11-6-10(12)7-15(13,14)8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyXMPBFDDVKXIKGO-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.53
Rot. Bonds4

About 1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole

1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole (PubChem CID 117192971) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole.

Molecular Properties

Compound Name1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole
PubChem CID117192971
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole
SMILESCCn1c(CS(=O)(=O)C(C)C)cnc1C
InChIInChI=1S/C10H18N2O2S/c1-5-12-9(4)11-6-10(12)7-15(13,14)8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyXMPBFDDVKXIKGO-UHFFFAOYSA-N
XLogP1.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117193131
1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole
CID 117193132
(3-ethyl-2-methylimidazol-4-yl)methanol
CID 117193179
5-(chloromethyl)-1-ethyl-2-methylimidazole
CID 130118504
2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
CID 55254160
1-(3-ethyl-2-methylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192906
1-ethyl-5-(methoxymethyl)-2-methylimidazole
CID 117193127
1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole
CID 117188344
1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
CID 117177184
4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117173790
1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde
CID 83873436
2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
CID 117192612

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole?
The IUPAC name of 1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole (CID 117192971) is 1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole.
What is the SMILES notation for 1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole?
The canonical SMILES for 1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole is CCn1c(CS(=O)(=O)C(C)C)cnc1C.
What is the InChIKey of 1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole?
The InChIKey is XMPBFDDVKXIKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-5-12-9(4)11-6-10(12)7-15(13,14)8(2)3/h6,8H,5,7H2,1-4H3.
What are the key properties of 1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole?
1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole has a molecular weight of 230.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole is sourced from PubChem (CID 117192971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).