2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile

C17H19NOS — CID 65263190

IUPAC2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile
SMILESCC(C)(C#N)CCCS(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NOS/c1-17(2,13-18)10-5-11-20(19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyLXDWMDPRQXTJGM-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.28
Rot. Bonds5

About 2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile

2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile (PubChem CID 65263190) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile
PubChem CID65263190
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile
SMILESCC(C)(C#N)CCCS(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NOS/c1-17(2,13-18)10-5-11-20(19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyLXDWMDPRQXTJGM-UHFFFAOYSA-N
XLogP4.28
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile?
The IUPAC name of 2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile (CID 65263190) is 2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile is CC(C)(C#N)CCCS(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile?
The InChIKey is LXDWMDPRQXTJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-17(2,13-18)10-5-11-20(19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12H,5,10-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile?
2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile has a molecular weight of 285.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile is sourced from PubChem (CID 65263190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).