methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate

C10H18N2O5S — CID 66114427

IUPACmethyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate
SMILESCOC(=O)CC(C)S(=O)(=O)CCN1CCNC1=O
InChIInChI=1S/C10H18N2O5S/c1-8(7-9(13)17-2)18(15,16)6-5-12-4-3-11-10(12)14/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyOIWFHIJWIWCGJY-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.62
Rot. Bonds6

About methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate

methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate (PubChem CID 66114427) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate
PubChem CID66114427
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Namemethyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate
SMILESCOC(=O)CC(C)S(=O)(=O)CCN1CCNC1=O
InChIInChI=1S/C10H18N2O5S/c1-8(7-9(13)17-2)18(15,16)6-5-12-4-3-11-10(12)14/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyOIWFHIJWIWCGJY-UHFFFAOYSA-N
XLogP-0.62
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate?
The IUPAC name of methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate (CID 66114427) is methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate.
What is the SMILES notation for methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate?
The canonical SMILES for methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate is COC(=O)CC(C)S(=O)(=O)CCN1CCNC1=O.
What is the InChIKey of methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate?
The InChIKey is OIWFHIJWIWCGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-8(7-9(13)17-2)18(15,16)6-5-12-4-3-11-10(12)14/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate?
methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate has a molecular weight of 278.33 g/mol, XLogP of -0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]butanoate is sourced from PubChem (CID 66114427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).