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

C11H20N2O3S — CID 11414300

IUPAC6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid
SMILESCSCC1NC(=O)NC1CCCCCC(=O)O
InChIInChI=1S/C11H20N2O3S/c1-17-7-9-8(12-11(16)13-9)5-3-2-4-6-10(14)15/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyLLVALQUCSOSWHA-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.43
Rot. Bonds8

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

6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid (PubChem CID 11414300) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid.

Molecular Properties

Compound Name6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid
PubChem CID11414300
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid
SMILESCSCC1NC(=O)NC1CCCCCC(=O)O
InChIInChI=1S/C11H20N2O3S/c1-17-7-9-8(12-11(16)13-9)5-3-2-4-6-10(14)15/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyLLVALQUCSOSWHA-UHFFFAOYSA-N
XLogP1.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.43
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-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid?
The IUPAC name of 6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid (CID 11414300) is 6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid.
What is the SMILES notation for 6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid?
The canonical SMILES for 6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid is CSCC1NC(=O)NC1CCCCCC(=O)O.
What is the InChIKey of 6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid?
The InChIKey is LLVALQUCSOSWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-17-7-9-8(12-11(16)13-9)5-3-2-4-6-10(14)15/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid?
6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid has a molecular weight of 260.36 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(methylsulfanylmethyl)-2-oxoimidazolidin-4-yl]hexanoic acid is sourced from PubChem (CID 11414300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).