5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile

C10H19NO2S — CID 65263140

IUPAC5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile
SMILESCOCCS(=O)CCCC(C)(C)C#N
InChIInChI=1S/C10H19NO2S/c1-10(2,9-11)5-4-7-14(12)8-6-13-3/h4-8H2,1-3H3
InChIKeyODTAMJLTUCGQRO-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.71
Rot. Bonds7

About 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile

5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile (PubChem CID 65263140) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile
PubChem CID65263140
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile
SMILESCOCCS(=O)CCCC(C)(C)C#N
InChIInChI=1S/C10H19NO2S/c1-10(2,9-11)5-4-7-14(12)8-6-13-3/h4-8H2,1-3H3
InChIKeyODTAMJLTUCGQRO-UHFFFAOYSA-N
XLogP1.71
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile (CID 65263140) is 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile is COCCS(=O)CCCC(C)(C)C#N.
What is the InChIKey of 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile?
The InChIKey is ODTAMJLTUCGQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2,9-11)5-4-7-14(12)8-6-13-3/h4-8H2,1-3H3.
What are the key properties of 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile?
5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile has a molecular weight of 217.33 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfinyl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65263140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).