2,2-dimethyl-5-methylsulfinylpentanenitrile

C8H15NOS — CID 65263343

IUPAC2,2-dimethyl-5-methylsulfinylpentanenitrile
SMILESCS(=O)CCCC(C)(C)C#N
InChIInChI=1S/C8H15NOS/c1-8(2,7-9)5-4-6-11(3)10/h4-6H2,1-3H3
InChIKeyVKCWTCNLLXPUSE-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.69
Rot. Bonds4

About 2,2-dimethyl-5-methylsulfinylpentanenitrile

2,2-dimethyl-5-methylsulfinylpentanenitrile (PubChem CID 65263343) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2,2-dimethyl-5-methylsulfinylpentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-methylsulfinylpentanenitrile
PubChem CID65263343
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2,2-dimethyl-5-methylsulfinylpentanenitrile
SMILESCS(=O)CCCC(C)(C)C#N
InChIInChI=1S/C8H15NOS/c1-8(2,7-9)5-4-6-11(3)10/h4-6H2,1-3H3
InChIKeyVKCWTCNLLXPUSE-UHFFFAOYSA-N
XLogP1.69
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Methanesulfonylmethyl)cyclobutane-1-carbonitrile
CID 97628814
2,2-Dimethyl-5-methylsulfonylpentanenitrile
CID 345618
5-Tert-butylsulfonyl-2,2,4,4-tetramethylpentanenitrile
CID 129081827
2,2,5-Trimethyl-5-methylsulfonylhexanenitrile
CID 138708146
Ethane;4-methyl-1-oxothiane-4-carbonitrile
CID 153573323
2,2,4-Trimethyl-4-methylsulfonylpentanenitrile
CID 155069914
1-Oxo-4-propan-2-ylthiane-4-carbonitrile
CID 156487560
Ethane;6-methyl-2-oxo-2lambda4-thiaspiro[3.3]heptane-6-carbonitrile
CID 166129940
4-Tert-butyl-1-oxothiane-4-carbonitrile
CID 169804745
4-Methyl-1-oxothiepane-4-carbonitrile
CID 170274813
1-Oxo-4-propylthiane-4-carbonitrile
CID 177987472
3,3-Dimethyl-1-methylsulfonylcyclobutane-1-carbonitrile
CID 64999930

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-methylsulfinylpentanenitrile?
The IUPAC name of 2,2-dimethyl-5-methylsulfinylpentanenitrile (CID 65263343) is 2,2-dimethyl-5-methylsulfinylpentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-methylsulfinylpentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-methylsulfinylpentanenitrile is CS(=O)CCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-5-methylsulfinylpentanenitrile?
The InChIKey is VKCWTCNLLXPUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-8(2,7-9)5-4-6-11(3)10/h4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-methylsulfinylpentanenitrile?
2,2-dimethyl-5-methylsulfinylpentanenitrile has a molecular weight of 173.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-methylsulfinylpentanenitrile is sourced from PubChem (CID 65263343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).