N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide

C14H23N3O2S — CID 111536922

IUPACN-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
SMILESCn1c(CO)cnc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-17-12(9-18)8-16-14(17)20-10-13(19)15-7-11-5-3-2-4-6-11/h8,11,18H,2-7,9-10H2,1H3,(H,15,19)
InChIKeyHVKLIPLPFNYOFM-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.70
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide

N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide (PubChem CID 111536922) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
PubChem CID111536922
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
SMILESCn1c(CO)cnc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-17-12(9-18)8-16-14(17)20-10-13(19)15-7-11-5-3-2-4-6-11/h8,11,18H,2-7,9-10H2,1H3,(H,15,19)
InChIKeyHVKLIPLPFNYOFM-UHFFFAOYSA-N
XLogP1.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 111825232
N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66151889
N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 75405791
N-(3,3-dimethylbutyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 111825249
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide
CID 66152095
N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methylacetamide
CID 111536939
1-(azetidin-1-yl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylethanone
CID 66150442
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 111825211
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441
1-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]piperidine-3-carboxamide
CID 66149815
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 61468169
N-(cyclohexylmethyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24591496

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide (CID 111536922) is N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide is Cn1c(CO)cnc1SCC(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The InChIKey is HVKLIPLPFNYOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17-12(9-18)8-16-14(17)20-10-13(19)15-7-11-5-3-2-4-6-11/h8,11,18H,2-7,9-10H2,1H3,(H,15,19).
What are the key properties of N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide has a molecular weight of 297.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 111536922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).