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

C12H22N2O3S — CID 774898

IUPAC(1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14-9-5-11(6-10-14)12(15)13-7-3-2-4-8-13/h11H,2-10H2,1H3
InChIKeyGUGUZGKFRFWROE-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.67
Rot. Bonds2

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

(1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone (PubChem CID 774898) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone
PubChem CID774898
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14-9-5-11(6-10-14)12(15)13-7-3-2-4-8-13/h11H,2-10H2,1H3
InChIKeyGUGUZGKFRFWROE-UHFFFAOYSA-N
XLogP0.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone (CID 774898) is (1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone is CS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone?
The InChIKey is GUGUZGKFRFWROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-18(16,17)14-9-5-11(6-10-14)12(15)13-7-3-2-4-8-13/h11H,2-10H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone?
(1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone has a molecular weight of 274.39 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 774898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).