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

C12H19N3O2S — CID 111825232

IUPACN-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
SMILESCn1c(CO)cnc1SCC(=O)NCC1CCC1
InChIInChI=1S/C12H19N3O2S/c1-15-10(7-16)6-14-12(15)18-8-11(17)13-5-9-3-2-4-9/h6,9,16H,2-5,7-8H2,1H3,(H,13,17)
InChIKeyFFQFDYYHNPHNIG-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.92
Rot. Bonds6

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

N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide (PubChem CID 111825232) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
PubChem CID111825232
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
SMILESCn1c(CO)cnc1SCC(=O)NCC1CCC1
InChIInChI=1S/C12H19N3O2S/c1-15-10(7-16)6-14-12(15)18-8-11(17)13-5-9-3-2-4-9/h6,9,16H,2-5,7-8H2,1H3,(H,13,17)
InChIKeyFFQFDYYHNPHNIG-UHFFFAOYSA-N
XLogP0.92
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide (CID 111825232) is N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide is Cn1c(CO)cnc1SCC(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The InChIKey is FFQFDYYHNPHNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-15-10(7-16)6-14-12(15)18-8-11(17)13-5-9-3-2-4-9/h6,9,16H,2-5,7-8H2,1H3,(H,13,17).
What are the key properties of N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide has a molecular weight of 269.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 111825232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).