2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

C15H25N3O3S — CID 7332121

IUPAC2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOCCn1c(CO)cnc1SCC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H25N3O3S/c1-12-3-5-17(6-4-12)14(20)11-22-15-16-9-13(10-19)18(15)7-8-21-2/h9,12,19H,3-8,10-11H2,1-2H3
InChIKeyIZJAWWUIZNCWFU-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.37
Rot. Bonds7

About 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 7332121) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID7332121
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOCCn1c(CO)cnc1SCC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H25N3O3S/c1-12-3-5-17(6-4-12)14(20)11-22-15-16-9-13(10-19)18(15)7-8-21-2/h9,12,19H,3-8,10-11H2,1-2H3
InChIKeyIZJAWWUIZNCWFU-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 22430878
1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone
CID 66150442
ethyl 4-[2-[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 18589604
methyl 3-[[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 7115154
1-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]piperidine-3-carboxamide
CID 66149815
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 2685290
2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 3212470
2-[5-(hydroxymethyl)-1-[(3-methylphenyl)methyl]imidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 7219440
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanone
CID 41455253
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 78811886
2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone
CID 83967675
2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one
CID 7455931

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone (CID 7332121) is 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone is COCCn1c(CO)cnc1SCC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is IZJAWWUIZNCWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-12-3-5-17(6-4-12)14(20)11-22-15-16-9-13(10-19)18(15)7-8-21-2/h9,12,19H,3-8,10-11H2,1-2H3.
What are the key properties of 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 327.45 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 7332121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).