methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate

C12H20N2O3S — CID 114000208

IUPACmethyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCCN2CCNC2=O)CC1
InChIInChI=1S/C12H20N2O3S/c1-17-10(15)8-12(2-3-12)9-18-7-6-14-5-4-13-11(14)16/h2-9H2,1H3,(H,13,16)
InChIKeyALFQZEMLWJBVAG-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.09
Rot. Bonds7

About methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate (PubChem CID 114000208) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate
PubChem CID114000208
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCCN2CCNC2=O)CC1
InChIInChI=1S/C12H20N2O3S/c1-17-10(15)8-12(2-3-12)9-18-7-6-14-5-4-13-11(14)16/h2-9H2,1H3,(H,13,16)
InChIKeyALFQZEMLWJBVAG-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate (CID 114000208) is methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate is COC(=O)CC1(CSCCN2CCNC2=O)CC1.
What is the InChIKey of methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate?
The InChIKey is ALFQZEMLWJBVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-17-10(15)8-12(2-3-12)9-18-7-6-14-5-4-13-11(14)16/h2-9H2,1H3,(H,13,16).
What are the key properties of methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate has a molecular weight of 272.37 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 114000208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).