1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone

C11H21NO4S — CID 79548822

IUPAC1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone
SMILESCC(O)CC1CCCCN1C(=O)CS(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-9(13)7-10-5-3-4-6-12(10)11(14)8-17(2,15)16/h9-10,13H,3-8H2,1-2H3
InChIKeyHMIBGEAOAXDJCX-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.18
Rot. Bonds4

About 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone

1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone (PubChem CID 79548822) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone
PubChem CID79548822
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone
SMILESCC(O)CC1CCCCN1C(=O)CS(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-9(13)7-10-5-3-4-6-12(10)11(14)8-17(2,15)16/h9-10,13H,3-8H2,1-2H3
InChIKeyHMIBGEAOAXDJCX-UHFFFAOYSA-N
XLogP0.18
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 104520556
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
1-[2-(2-hydroxypropyl)azepan-1-yl]-4-methylpentan-1-one
CID 79560929
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 79560520
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-propan-2-yloxyethanone
CID 112603248
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446
2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 110012382
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-propoxyethanone
CID 114018464
(2S)-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 66263848
1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone?
The IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone (CID 79548822) is 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone.
What is the SMILES notation for 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone?
The canonical SMILES for 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone is CC(O)CC1CCCCN1C(=O)CS(C)(=O)=O.
What is the InChIKey of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone?
The InChIKey is HMIBGEAOAXDJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(13)7-10-5-3-4-6-12(10)11(14)8-17(2,15)16/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone?
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone has a molecular weight of 263.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone is sourced from PubChem (CID 79548822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).