(1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone

C13H24N2O3S — CID 3254003

IUPAC(1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-2-19(17,18)15-10-6-12(7-11-15)13(16)14-8-4-3-5-9-14/h12H,2-11H2,1H3
InChIKeyDGIMHDMNMHNVDN-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.06
Rot. Bonds3

About (1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone

(1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone (PubChem CID 3254003) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is (1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone
PubChem CID3254003
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name(1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-2-19(17,18)15-10-6-12(7-11-15)13(16)14-8-4-3-5-9-14/h12H,2-11H2,1H3
InChIKeyDGIMHDMNMHNVDN-UHFFFAOYSA-N
XLogP1.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone (CID 3254003) is (1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone is CCS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of (1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone?
The InChIKey is DGIMHDMNMHNVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-2-19(17,18)15-10-6-12(7-11-15)13(16)14-8-4-3-5-9-14/h12H,2-11H2,1H3.
What are the key properties of (1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone?
(1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone has a molecular weight of 288.41 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 3254003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).