3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one

C13H21NO3S — CID 114236355

IUPAC3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one
SMILESO=C1CCCC(S(=O)CC(=O)N2CCCCC2)C1
InChIInChI=1S/C13H21NO3S/c15-11-5-4-6-12(9-11)18(17)10-13(16)14-7-2-1-3-8-14/h12H,1-10H2
InChIKeyBGVMRPBIDKXMBT-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.26
Rot. Bonds3

About 3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one

3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one (PubChem CID 114236355) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one.

Molecular Properties

Compound Name3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one
PubChem CID114236355
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one
SMILESO=C1CCCC(S(=O)CC(=O)N2CCCCC2)C1
InChIInChI=1S/C13H21NO3S/c15-11-5-4-6-12(9-11)18(17)10-13(16)14-7-2-1-3-8-14/h12H,1-10H2
InChIKeyBGVMRPBIDKXMBT-UHFFFAOYSA-N
XLogP1.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one?
The IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one (CID 114236355) is 3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one.
What is the SMILES notation for 3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one?
The canonical SMILES for 3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one is O=C1CCCC(S(=O)CC(=O)N2CCCCC2)C1.
What is the InChIKey of 3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one?
The InChIKey is BGVMRPBIDKXMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c15-11-5-4-6-12(9-11)18(17)10-13(16)14-7-2-1-3-8-14/h12H,1-10H2.
What are the key properties of 3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one?
3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one has a molecular weight of 271.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one is sourced from PubChem (CID 114236355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).