2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid

C7H12N2O4S — CID 60982456

IUPAC2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid
SMILESO=C(O)CS(=O)CCN1CCNC1=O
InChIInChI=1S/C7H12N2O4S/c10-6(11)5-14(13)4-3-9-2-1-8-7(9)12/h1-5H2,(H,8,12)(H,10,11)
InChIKeyQLGSMUCPZSHMDJ-UHFFFAOYSA-N
MW220.25 g/mol
LogP-1.16
Rot. Bonds5

About 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid

2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid (PubChem CID 60982456) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid
PubChem CID60982456
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC Name2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid
SMILESO=C(O)CS(=O)CCN1CCNC1=O
InChIInChI=1S/C7H12N2O4S/c10-6(11)5-14(13)4-3-9-2-1-8-7(9)12/h1-5H2,(H,8,12)(H,10,11)
InChIKeyQLGSMUCPZSHMDJ-UHFFFAOYSA-N
XLogP-1.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid?
The IUPAC name of 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid (CID 60982456) is 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid.
What is the SMILES notation for 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid?
The canonical SMILES for 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid is O=C(O)CS(=O)CCN1CCNC1=O.
What is the InChIKey of 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid?
The InChIKey is QLGSMUCPZSHMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c10-6(11)5-14(13)4-3-9-2-1-8-7(9)12/h1-5H2,(H,8,12)(H,10,11).
What are the key properties of 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid?
2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid has a molecular weight of 220.25 g/mol, XLogP of -1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfinyl]acetic acid is sourced from PubChem (CID 60982456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).