1-ethylsulfonylpiperidine-4-carbonitrile

C8H14N2O2S — CID 39240504

IUPAC1-ethylsulfonylpiperidine-4-carbonitrile
SMILESCCS(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C8H14N2O2S/c1-2-13(11,12)10-5-3-8(7-9)4-6-10/h8H,2-6H2,1H3
InChIKeySKAIZQANONWURG-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.57
Rot. Bonds2

About 1-ethylsulfonylpiperidine-4-carbonitrile

1-ethylsulfonylpiperidine-4-carbonitrile (PubChem CID 39240504) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-ethylsulfonylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-ethylsulfonylpiperidine-4-carbonitrile
PubChem CID39240504
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name1-ethylsulfonylpiperidine-4-carbonitrile
SMILESCCS(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C8H14N2O2S/c1-2-13(11,12)10-5-3-8(7-9)4-6-10/h8H,2-6H2,1H3
InChIKeySKAIZQANONWURG-UHFFFAOYSA-N
XLogP0.57
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylpiperidine-4-carbonitrile?
The IUPAC name of 1-ethylsulfonylpiperidine-4-carbonitrile (CID 39240504) is 1-ethylsulfonylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-ethylsulfonylpiperidine-4-carbonitrile?
The canonical SMILES for 1-ethylsulfonylpiperidine-4-carbonitrile is CCS(=O)(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-ethylsulfonylpiperidine-4-carbonitrile?
The InChIKey is SKAIZQANONWURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-2-13(11,12)10-5-3-8(7-9)4-6-10/h8H,2-6H2,1H3.
What are the key properties of 1-ethylsulfonylpiperidine-4-carbonitrile?
1-ethylsulfonylpiperidine-4-carbonitrile has a molecular weight of 202.28 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpiperidine-4-carbonitrile is sourced from PubChem (CID 39240504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).