2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide

C15H25N3O2S — CID 111825211

IUPAC2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)CSc1ncc(CO)n1C
InChIInChI=1S/C15H25N3O2S/c1-11-6-4-5-7-13(11)18(3)14(20)10-21-15-16-8-12(9-19)17(15)2/h8,11,13,19H,4-7,9-10H2,1-3H3
InChIKeyVAGDGFPBAYAQAL-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.04
Rot. Bonds5

About 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide

2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 111825211) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide
PubChem CID111825211
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)CSc1ncc(CO)n1C
InChIInChI=1S/C15H25N3O2S/c1-11-6-4-5-7-13(11)18(3)14(20)10-21-15-16-8-12(9-19)17(15)2/h8,11,13,19H,4-7,9-10H2,1-3H3
InChIKeyVAGDGFPBAYAQAL-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide (CID 111825211) is 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1N(C)C(=O)CSc1ncc(CO)n1C.
What is the InChIKey of 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is VAGDGFPBAYAQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-6-4-5-7-13(11)18(3)14(20)10-21-15-16-8-12(9-19)17(15)2/h8,11,13,19H,4-7,9-10H2,1-3H3.
What are the key properties of 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide?
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 111825211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).