[3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol

C10H16N2O4S — CID 154739923

IUPAC[3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H16N2O4S/c1-12-8(6-13)5-11-10(12)17(14,15)7-9-3-2-4-16-9/h5,9,13H,2-4,6-7H2,1H3
InChIKeyWKENDWUBTDKALB-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.13
Rot. Bonds4

About [3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol

[3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol (PubChem CID 154739923) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is [3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol
PubChem CID154739923
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name[3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H16N2O4S/c1-12-8(6-13)5-11-10(12)17(14,15)7-9-3-2-4-16-9/h5,9,13H,2-4,6-7H2,1H3
InChIKeyWKENDWUBTDKALB-UHFFFAOYSA-N
XLogP-0.13
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]ethanamine
CID 45225373
1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole
CID 102579884
N-methyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]cyclohexanamine
CID 45247263
5-(chloromethyl)-2-methylsulfonyl-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 94133723
1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperidine
CID 45239287
4-methoxy-1-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]piperidine
CID 45244329
1-[4-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 28823524
N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N-ethyl-2-pyrrolidin-1-ylethanamine
CID 45243274
N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 45189774
N-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-N-methyl-1-phenylmethanamine
CID 42591991
N-methyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 45230790
2-[5-(hydroxymethyl)-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 7115918

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol (CID 154739923) is [3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol is Cn1c(CO)cnc1S(=O)(=O)CC1CCCO1.
What is the InChIKey of [3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol?
The InChIKey is WKENDWUBTDKALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-12-8(6-13)5-11-10(12)17(14,15)7-9-3-2-4-16-9/h5,9,13H,2-4,6-7H2,1H3.
What are the key properties of [3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol?
[3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol has a molecular weight of 260.31 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol is sourced from PubChem (CID 154739923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).