2-(1-methylsulfonylindol-6-yl)oxyacetonitrile

C11H10N2O3S — CID 18789662

IUPAC2-(1-methylsulfonylindol-6-yl)oxyacetonitrile
SMILESCS(=O)(=O)n1ccc2ccc(OCC#N)cc21
InChIInChI=1S/C11H10N2O3S/c1-17(14,15)13-6-4-9-2-3-10(8-11(9)13)16-7-5-12/h2-4,6,8H,7H2,1H3
InChIKeySCQWLGWZNHMPSF-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.35
Rot. Bonds3

About 2-(1-methylsulfonylindol-6-yl)oxyacetonitrile

2-(1-methylsulfonylindol-6-yl)oxyacetonitrile (PubChem CID 18789662) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(1-methylsulfonylindol-6-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(1-methylsulfonylindol-6-yl)oxyacetonitrile
PubChem CID18789662
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-(1-methylsulfonylindol-6-yl)oxyacetonitrile
SMILESCS(=O)(=O)n1ccc2ccc(OCC#N)cc21
InChIInChI=1S/C11H10N2O3S/c1-17(14,15)13-6-4-9-2-3-10(8-11(9)13)16-7-5-12/h2-4,6,8H,7H2,1H3
InChIKeySCQWLGWZNHMPSF-UHFFFAOYSA-N
XLogP1.35
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylindol-6-yl)oxyacetonitrile?
The IUPAC name of 2-(1-methylsulfonylindol-6-yl)oxyacetonitrile (CID 18789662) is 2-(1-methylsulfonylindol-6-yl)oxyacetonitrile.
What is the SMILES notation for 2-(1-methylsulfonylindol-6-yl)oxyacetonitrile?
The canonical SMILES for 2-(1-methylsulfonylindol-6-yl)oxyacetonitrile is CS(=O)(=O)n1ccc2ccc(OCC#N)cc21.
What is the InChIKey of 2-(1-methylsulfonylindol-6-yl)oxyacetonitrile?
The InChIKey is SCQWLGWZNHMPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-17(14,15)13-6-4-9-2-3-10(8-11(9)13)16-7-5-12/h2-4,6,8H,7H2,1H3.
What are the key properties of 2-(1-methylsulfonylindol-6-yl)oxyacetonitrile?
2-(1-methylsulfonylindol-6-yl)oxyacetonitrile has a molecular weight of 250.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylindol-6-yl)oxyacetonitrile is sourced from PubChem (CID 18789662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).