4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile

C15H20N2O2S — CID 57435221

IUPAC4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile
SMILESCCCS(=O)(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C15H20N2O2S/c1-2-12-20(18,19)17-10-8-15(13-16,9-11-17)14-6-4-3-5-7-14/h3-7H,2,8-12H2,1H3
InChIKeyVAKRECAXGYXPNC-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.28
Rot. Bonds4

About 4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile

4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile (PubChem CID 57435221) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile
PubChem CID57435221
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile
SMILESCCCS(=O)(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C15H20N2O2S/c1-2-12-20(18,19)17-10-8-15(13-16,9-11-17)14-6-4-3-5-7-14/h3-7H,2,8-12H2,1H3
InChIKeyVAKRECAXGYXPNC-UHFFFAOYSA-N
XLogP2.28
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile?
The IUPAC name of 4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile (CID 57435221) is 4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile?
The canonical SMILES for 4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile is CCCS(=O)(=O)N1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile?
The InChIKey is VAKRECAXGYXPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-12-20(18,19)17-10-8-15(13-16,9-11-17)14-6-4-3-5-7-14/h3-7H,2,8-12H2,1H3.
What are the key properties of 4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile?
4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile has a molecular weight of 292.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-propylsulfonylpiperidine-4-carbonitrile is sourced from PubChem (CID 57435221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).