3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile

C10H12N2O3S — CID 64689975

IUPAC3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile
SMILESCOCCS(=O)(=O)Cc1cccnc1C#N
InChIInChI=1S/C10H12N2O3S/c1-15-5-6-16(13,14)8-9-3-2-4-12-10(9)7-11/h2-4H,5-6,8H2,1H3
InChIKeyXNHBIVVPSAVDMB-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.51
Rot. Bonds5

About 3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile

3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile (PubChem CID 64689975) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile
PubChem CID64689975
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile
SMILESCOCCS(=O)(=O)Cc1cccnc1C#N
InChIInChI=1S/C10H12N2O3S/c1-15-5-6-16(13,14)8-9-3-2-4-12-10(9)7-11/h2-4H,5-6,8H2,1H3
InChIKeyXNHBIVVPSAVDMB-UHFFFAOYSA-N
XLogP0.51
TPSA80.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile (CID 64689975) is 3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile is COCCS(=O)(=O)Cc1cccnc1C#N.
What is the InChIKey of 3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile?
The InChIKey is XNHBIVVPSAVDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-15-5-6-16(13,14)8-9-3-2-4-12-10(9)7-11/h2-4H,5-6,8H2,1H3.
What are the key properties of 3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile?
3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile has a molecular weight of 240.28 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 64689975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).