6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile

C16H17N3O2S — CID 86816236

IUPAC6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile
SMILESCc1ccc(S(=O)(=O)CC(C)Nc2cccc(C#N)n2)cc1
InChIInChI=1S/C16H17N3O2S/c1-12-6-8-15(9-7-12)22(20,21)11-13(2)18-16-5-3-4-14(10-17)19-16/h3-9,13H,11H2,1-2H3,(H,18,19)
InChIKeyWUKWPVKEMWHCHL-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.54
Rot. Bonds5

About 6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile

6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile (PubChem CID 86816236) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile
PubChem CID86816236
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile
SMILESCc1ccc(S(=O)(=O)CC(C)Nc2cccc(C#N)n2)cc1
InChIInChI=1S/C16H17N3O2S/c1-12-6-8-15(9-7-12)22(20,21)11-13(2)18-16-5-3-4-14(10-17)19-16/h3-9,13H,11H2,1-2H3,(H,18,19)
InChIKeyWUKWPVKEMWHCHL-UHFFFAOYSA-N
XLogP2.54
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile (CID 86816236) is 6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile is Cc1ccc(S(=O)(=O)CC(C)Nc2cccc(C#N)n2)cc1.
What is the InChIKey of 6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile?
The InChIKey is WUKWPVKEMWHCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-12-6-8-15(9-7-12)22(20,21)11-13(2)18-16-5-3-4-14(10-17)19-16/h3-9,13H,11H2,1-2H3,(H,18,19).
What are the key properties of 6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile?
6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile has a molecular weight of 315.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 86816236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).