4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile

C11H15N3O2S — CID 81189261

IUPAC4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile
SMILESCC(C)(N)CS(=O)(=O)Cc1ccnc(C#N)c1
InChIInChI=1S/C11H15N3O2S/c1-11(2,13)8-17(15,16)7-9-3-4-14-10(5-9)6-12/h3-5H,7-8,13H2,1-2H3
InChIKeyOWTKCWBUJYHFLE-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.61
Rot. Bonds4

About 4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile

4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile (PubChem CID 81189261) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile
PubChem CID81189261
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile
SMILESCC(C)(N)CS(=O)(=O)Cc1ccnc(C#N)c1
InChIInChI=1S/C11H15N3O2S/c1-11(2,13)8-17(15,16)7-9-3-4-14-10(5-9)6-12/h3-5H,7-8,13H2,1-2H3
InChIKeyOWTKCWBUJYHFLE-UHFFFAOYSA-N
XLogP0.61
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile (CID 81189261) is 4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile is CC(C)(N)CS(=O)(=O)Cc1ccnc(C#N)c1.
What is the InChIKey of 4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile?
The InChIKey is OWTKCWBUJYHFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-11(2,13)8-17(15,16)7-9-3-4-14-10(5-9)6-12/h3-5H,7-8,13H2,1-2H3.
What are the key properties of 4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile?
4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile has a molecular weight of 253.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 81189261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).