1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile

C9H15NO3S — CID 102568936

IUPAC1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile
SMILESCCOCC1(C#N)CC1S(=O)(=O)CC
InChIInChI=1S/C9H15NO3S/c1-3-13-7-9(6-10)5-8(9)14(11,12)4-2/h8H,3-5,7H2,1-2H3
InChIKeyIURFYNBUSAYJOF-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.74
Rot. Bonds5

About 1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile

1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile (PubChem CID 102568936) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile
PubChem CID102568936
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile
SMILESCCOCC1(C#N)CC1S(=O)(=O)CC
InChIInChI=1S/C9H15NO3S/c1-3-13-7-9(6-10)5-8(9)14(11,12)4-2/h8H,3-5,7H2,1-2H3
InChIKeyIURFYNBUSAYJOF-UHFFFAOYSA-N
XLogP0.74
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile?
The IUPAC name of 1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile (CID 102568936) is 1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile is CCOCC1(C#N)CC1S(=O)(=O)CC.
What is the InChIKey of 1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile?
The InChIKey is IURFYNBUSAYJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-3-13-7-9(6-10)5-8(9)14(11,12)4-2/h8H,3-5,7H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile?
1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile has a molecular weight of 217.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-2-ethylsulfonylcyclopropane-1-carbonitrile is sourced from PubChem (CID 102568936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).