1-(2-ethylsulfanylimidazolidin-1-yl)ethanone

C7H14N2OS — CID 175170889

IUPAC1-(2-ethylsulfanylimidazolidin-1-yl)ethanone
SMILESCCSC1NCCN1C(C)=O
InChIInChI=1S/C7H14N2OS/c1-3-11-7-8-4-5-9(7)6(2)10/h7-8H,3-5H2,1-2H3
InChIKeyXLOCWHJNVYVJPK-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.47
Rot. Bonds2

About 1-(2-ethylsulfanylimidazolidin-1-yl)ethanone

1-(2-ethylsulfanylimidazolidin-1-yl)ethanone (PubChem CID 175170889) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-(2-ethylsulfanylimidazolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylsulfanylimidazolidin-1-yl)ethanone
PubChem CID175170889
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name1-(2-ethylsulfanylimidazolidin-1-yl)ethanone
SMILESCCSC1NCCN1C(C)=O
InChIInChI=1S/C7H14N2OS/c1-3-11-7-8-4-5-9(7)6(2)10/h7-8H,3-5H2,1-2H3
InChIKeyXLOCWHJNVYVJPK-UHFFFAOYSA-N
XLogP0.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylimidazolidin-1-yl)ethanone?
The IUPAC name of 1-(2-ethylsulfanylimidazolidin-1-yl)ethanone (CID 175170889) is 1-(2-ethylsulfanylimidazolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethylsulfanylimidazolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-ethylsulfanylimidazolidin-1-yl)ethanone is CCSC1NCCN1C(C)=O.
What is the InChIKey of 1-(2-ethylsulfanylimidazolidin-1-yl)ethanone?
The InChIKey is XLOCWHJNVYVJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-3-11-7-8-4-5-9(7)6(2)10/h7-8H,3-5H2,1-2H3.
What are the key properties of 1-(2-ethylsulfanylimidazolidin-1-yl)ethanone?
1-(2-ethylsulfanylimidazolidin-1-yl)ethanone has a molecular weight of 174.27 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylimidazolidin-1-yl)ethanone is sourced from PubChem (CID 175170889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).