4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile

C14H25N3O2S — CID 69325340

IUPAC4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile
SMILESCCCS(=O)(=O)[C@@H]1CCCCN1C1(C#N)CCNCC1
InChIInChI=1S/C14H25N3O2S/c1-2-11-20(18,19)13-5-3-4-10-17(13)14(12-15)6-8-16-9-7-14/h13,16H,2-11H2,1H3/t13-/m1/s1
InChIKeyFKUNAASDDOBHDO-CYBMUJFWSA-N
MW299.44 g/mol
LogP1.27
Rot. Bonds4

About 4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile

4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile (PubChem CID 69325340) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile
PubChem CID69325340
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile
SMILESCCCS(=O)(=O)[C@@H]1CCCCN1C1(C#N)CCNCC1
InChIInChI=1S/C14H25N3O2S/c1-2-11-20(18,19)13-5-3-4-10-17(13)14(12-15)6-8-16-9-7-14/h13,16H,2-11H2,1H3/t13-/m1/s1
InChIKeyFKUNAASDDOBHDO-CYBMUJFWSA-N
XLogP1.27
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile?
The IUPAC name of 4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile (CID 69325340) is 4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile?
The canonical SMILES for 4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile is CCCS(=O)(=O)[C@@H]1CCCCN1C1(C#N)CCNCC1.
What is the InChIKey of 4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile?
The InChIKey is FKUNAASDDOBHDO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-2-11-20(18,19)13-5-3-4-10-17(13)14(12-15)6-8-16-9-7-14/h13,16H,2-11H2,1H3/t13-/m1/s1.
What are the key properties of 4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile?
4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile has a molecular weight of 299.44 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 69325340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).