1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one

C10H12N2O3S — CID 112780791

IUPAC1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one
SMILESO=C(CSCc1ccco1)N1CCNC1=O
InChIInChI=1S/C10H12N2O3S/c13-9(12-4-3-11-10(12)14)7-16-6-8-2-1-5-15-8/h1-2,5H,3-4,6-7H2,(H,11,14)
InChIKeyJDJFFHNRDKFIMM-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.06
Rot. Bonds4

About 1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one

1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one (PubChem CID 112780791) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one
PubChem CID112780791
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one
SMILESO=C(CSCc1ccco1)N1CCNC1=O
InChIInChI=1S/C10H12N2O3S/c13-9(12-4-3-11-10(12)14)7-16-6-8-2-1-5-15-8/h1-2,5H,3-4,6-7H2,(H,11,14)
InChIKeyJDJFFHNRDKFIMM-UHFFFAOYSA-N
XLogP1.06
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one (CID 112780791) is 1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one is O=C(CSCc1ccco1)N1CCNC1=O.
What is the InChIKey of 1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one?
The InChIKey is JDJFFHNRDKFIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-9(12-4-3-11-10(12)14)7-16-6-8-2-1-5-15-8/h1-2,5H,3-4,6-7H2,(H,11,14).
What are the key properties of 1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one?
1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one has a molecular weight of 240.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one is sourced from PubChem (CID 112780791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).