6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid

C12H22N2O3S — CID 11334832

IUPAC6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid
SMILESCSCCC1NC(=O)NC1CCCCCC(=O)O
InChIInChI=1S/C12H22N2O3S/c1-18-8-7-10-9(13-12(17)14-10)5-3-2-4-6-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyAMUUVISIVIZLBP-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.82
Rot. Bonds9

About 6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid

6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid (PubChem CID 11334832) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid.

Molecular Properties

Compound Name6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid
PubChem CID11334832
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid
SMILESCSCCC1NC(=O)NC1CCCCCC(=O)O
InChIInChI=1S/C12H22N2O3S/c1-18-8-7-10-9(13-12(17)14-10)5-3-2-4-6-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyAMUUVISIVIZLBP-UHFFFAOYSA-N
XLogP1.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid?
The IUPAC name of 6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid (CID 11334832) is 6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid.
What is the SMILES notation for 6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid?
The canonical SMILES for 6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid is CSCCC1NC(=O)NC1CCCCCC(=O)O.
What is the InChIKey of 6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid?
The InChIKey is AMUUVISIVIZLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-18-8-7-10-9(13-12(17)14-10)5-3-2-4-6-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid?
6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid has a molecular weight of 274.39 g/mol, XLogP of 1.82, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-methylsulfanylethyl)-2-oxoimidazolidin-4-yl]hexanoic acid is sourced from PubChem (CID 11334832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).