2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile

C14H19NO2S — CID 116855035

IUPAC2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile
SMILESCc1ccc(C(C)C)cc1S(=O)(=O)C(C)(C)C#N
InChIInChI=1S/C14H19NO2S/c1-10(2)12-7-6-11(3)13(8-12)18(16,17)14(4,5)9-15/h6-8,10H,1-5H3
InChIKeyHIQDDYZJUCSTTE-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.19
Rot. Bonds3

About 2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile

2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile (PubChem CID 116855035) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile
PubChem CID116855035
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile
SMILESCc1ccc(C(C)C)cc1S(=O)(=O)C(C)(C)C#N
InChIInChI=1S/C14H19NO2S/c1-10(2)12-7-6-11(3)13(8-12)18(16,17)14(4,5)9-15/h6-8,10H,1-5H3
InChIKeyHIQDDYZJUCSTTE-UHFFFAOYSA-N
XLogP3.19
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile?
The IUPAC name of 2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile (CID 116855035) is 2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile.
What is the SMILES notation for 2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile?
The canonical SMILES for 2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile is Cc1ccc(C(C)C)cc1S(=O)(=O)C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile?
The InChIKey is HIQDDYZJUCSTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(2)12-7-6-11(3)13(8-12)18(16,17)14(4,5)9-15/h6-8,10H,1-5H3.
What are the key properties of 2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile?
2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile has a molecular weight of 265.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile is sourced from PubChem (CID 116855035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).