5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile

C10H19NO3S — CID 65263083

IUPAC5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile
SMILESCOCCS(=O)(=O)CCCC(C)(C)C#N
InChIInChI=1S/C10H19NO3S/c1-10(2,9-11)5-4-7-15(12,13)8-6-14-3/h4-8H2,1-3H3
InChIKeyMVCDVYLSUTVXFT-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.38
Rot. Bonds7

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

5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile (PubChem CID 65263083) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile
PubChem CID65263083
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile
SMILESCOCCS(=O)(=O)CCCC(C)(C)C#N
InChIInChI=1S/C10H19NO3S/c1-10(2,9-11)5-4-7-15(12,13)8-6-14-3/h4-8H2,1-3H3
InChIKeyMVCDVYLSUTVXFT-UHFFFAOYSA-N
XLogP1.38
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethylsulfonyl-2,2-dimethylpentanenitrile
CID 65263387
2-(4-cyano-4-methylpentyl)sulfonylacetic acid
CID 65256013
2,2-dimethyl-5-(3-methylbutan-2-ylsulfonyl)pentanenitrile
CID 103721391
5-(3-methoxypropylsulfinyl)-2,2-dimethylpentanenitrile
CID 65263137
4-ethylsulfonyl-2,2-dimethylbutanenitrile
CID 65263436
5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 82951838
4-(2-aminoethylsulfonyl)-2,2-dimethylbutanenitrile
CID 81174211
1-bromo-4-(2-methoxyethylsulfonyl)butane
CID 43445961
4-(2-methoxyethylsulfinyl)-2,2-dimethylbutanenitrile
CID 65263141
5-methoxy-2,2,5-trimethylhexanenitrile
CID 103017221
6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709904
1-(3-methoxypropylsulfonyl)-2,2-dimethylpropane
CID 134597513

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile (CID 65263083) is 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile is COCCS(=O)(=O)CCCC(C)(C)C#N.
What is the InChIKey of 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile?
The InChIKey is MVCDVYLSUTVXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-10(2,9-11)5-4-7-15(12,13)8-6-14-3/h4-8H2,1-3H3.
What are the key properties of 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile?
5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile has a molecular weight of 233.33 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65263083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).