1-cyclobutyl-2-methylsulfonylimidazole

C8H12N2O2S — CID 130635620

IUPAC1-cyclobutyl-2-methylsulfonylimidazole
SMILESCS(=O)(=O)c1nccn1C1CCC1
InChIInChI=1S/C8H12N2O2S/c1-13(11,12)8-9-5-6-10(8)7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKeyBPFISKOIHIDPIG-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.01
Rot. Bonds2

About 1-cyclobutyl-2-methylsulfonylimidazole

1-cyclobutyl-2-methylsulfonylimidazole (PubChem CID 130635620) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-cyclobutyl-2-methylsulfonylimidazole.

Molecular Properties

Compound Name1-cyclobutyl-2-methylsulfonylimidazole
PubChem CID130635620
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1-cyclobutyl-2-methylsulfonylimidazole
SMILESCS(=O)(=O)c1nccn1C1CCC1
InChIInChI=1S/C8H12N2O2S/c1-13(11,12)8-9-5-6-10(8)7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKeyBPFISKOIHIDPIG-UHFFFAOYSA-N
XLogP1.01
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82128342
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1-cyclopentyl-N-(2-methylsulfonylethyl)imidazol-2-amine
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1-(thiolan-3-yl)imidazole-2-sulfonyl chloride
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1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide
CID 71633124
1-cyclobutyl-2-(1-methylpyrazol-3-yl)imidazole
CID 155911708
1-cycloheptylimidazole-2-carboxylic acid
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1-(1-cyclohexylimidazol-2-yl)ethanol
CID 169132500
(1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide
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CID 106571396

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methylsulfonylimidazole?
The IUPAC name of 1-cyclobutyl-2-methylsulfonylimidazole (CID 130635620) is 1-cyclobutyl-2-methylsulfonylimidazole.
What is the SMILES notation for 1-cyclobutyl-2-methylsulfonylimidazole?
The canonical SMILES for 1-cyclobutyl-2-methylsulfonylimidazole is CS(=O)(=O)c1nccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-methylsulfonylimidazole?
The InChIKey is BPFISKOIHIDPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-13(11,12)8-9-5-6-10(8)7-3-2-4-7/h5-7H,2-4H2,1H3.
What are the key properties of 1-cyclobutyl-2-methylsulfonylimidazole?
1-cyclobutyl-2-methylsulfonylimidazole has a molecular weight of 200.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methylsulfonylimidazole is sourced from PubChem (CID 130635620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).