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

C13H21N3O2S — CID 66151889

IUPACN-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
SMILESCn1c(CO)cnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3O2S/c1-16-11(8-17)7-14-13(16)19-9-12(18)15-10-5-3-2-4-6-10/h7,10,17H,2-6,8-9H2,1H3,(H,15,18)
InChIKeyIVHMQYDFWFHUET-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.45
Rot. Bonds5

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

N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide (PubChem CID 66151889) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
PubChem CID66151889
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
SMILESCn1c(CO)cnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3O2S/c1-16-11(8-17)7-14-13(16)19-9-12(18)15-10-5-3-2-4-6-10/h7,10,17H,2-6,8-9H2,1H3,(H,15,18)
InChIKeyIVHMQYDFWFHUET-UHFFFAOYSA-N
XLogP1.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide (CID 66151889) is N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide is Cn1c(CO)cnc1SCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The InChIKey is IVHMQYDFWFHUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16-11(8-17)7-14-13(16)19-9-12(18)15-10-5-3-2-4-6-10/h7,10,17H,2-6,8-9H2,1H3,(H,15,18).
What are the key properties of N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide has a molecular weight of 283.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 66151889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).