2-cyclopentylsulfonyl-2-methylpropanenitrile

C9H15NO2S — CID 116855068

IUPAC2-cyclopentylsulfonyl-2-methylpropanenitrile
SMILESCC(C)(C#N)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H15NO2S/c1-9(2,7-10)13(11,12)8-5-3-4-6-8/h8H,3-6H2,1-2H3
InChIKeyWGQHPTGZQZIODC-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.65
Rot. Bonds2

About 2-cyclopentylsulfonyl-2-methylpropanenitrile

2-cyclopentylsulfonyl-2-methylpropanenitrile (PubChem CID 116855068) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-2-methylpropanenitrile.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-2-methylpropanenitrile
PubChem CID116855068
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name2-cyclopentylsulfonyl-2-methylpropanenitrile
SMILESCC(C)(C#N)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H15NO2S/c1-9(2,7-10)13(11,12)8-5-3-4-6-8/h8H,3-6H2,1-2H3
InChIKeyWGQHPTGZQZIODC-UHFFFAOYSA-N
XLogP1.65
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

n-Hexanesulphonylacetonitrile
CID 2817563
3-(Tert-butylsulfonyl)propanenitrile
CID 2172831
3-(Propane-1-sulfonyl)propanenitrile
CID 39235732
3-Butylsulfonylpropanenitrile
CID 64692851
2-(Cyclopentylsulfonylmethyl)-3,3,3-trifluoropropanenitrile
CID 103372453
5-Ethylsulfonylpentanenitrile
CID 11457985
3-Ethylsulfonylpropanenitrile
CID 39235191
2-Propylsulfonylpentanenitrile
CID 57024621
2-Cyclopentylsulfonylacetonitrile
CID 63115570
3-(2-Methylpropylsulfonyl)propanenitrile
CID 64689959
4-Tert-butylsulfonylbutanenitrile
CID 64690367
3-Ethylsulfonyl-2-methylpropanenitrile
CID 64691198

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-2-methylpropanenitrile?
The IUPAC name of 2-cyclopentylsulfonyl-2-methylpropanenitrile (CID 116855068) is 2-cyclopentylsulfonyl-2-methylpropanenitrile.
What is the SMILES notation for 2-cyclopentylsulfonyl-2-methylpropanenitrile?
The canonical SMILES for 2-cyclopentylsulfonyl-2-methylpropanenitrile is CC(C)(C#N)S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-2-methylpropanenitrile?
The InChIKey is WGQHPTGZQZIODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-9(2,7-10)13(11,12)8-5-3-4-6-8/h8H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentylsulfonyl-2-methylpropanenitrile?
2-cyclopentylsulfonyl-2-methylpropanenitrile has a molecular weight of 201.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-2-methylpropanenitrile is sourced from PubChem (CID 116855068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).