4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile

C11H14N2O2S — CID 64689751

IUPAC4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile
SMILESCC(C)CS(=O)(=O)Cc1ccnc(C#N)c1
InChIInChI=1S/C11H14N2O2S/c1-9(2)7-16(14,15)8-10-3-4-13-11(5-10)6-12/h3-5,9H,7-8H2,1-2H3
InChIKeyNDMKIBNPWSHZGW-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.52
Rot. Bonds4

About 4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile

4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile (PubChem CID 64689751) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile
PubChem CID64689751
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile
SMILESCC(C)CS(=O)(=O)Cc1ccnc(C#N)c1
InChIInChI=1S/C11H14N2O2S/c1-9(2)7-16(14,15)8-10-3-4-13-11(5-10)6-12/h3-5,9H,7-8H2,1-2H3
InChIKeyNDMKIBNPWSHZGW-UHFFFAOYSA-N
XLogP1.52
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile (CID 64689751) is 4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile is CC(C)CS(=O)(=O)Cc1ccnc(C#N)c1.
What is the InChIKey of 4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile?
The InChIKey is NDMKIBNPWSHZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-9(2)7-16(14,15)8-10-3-4-13-11(5-10)6-12/h3-5,9H,7-8H2,1-2H3.
What are the key properties of 4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile?
4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile has a molecular weight of 238.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 64689751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).