1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate

C10H19NO4S — CID 68524691

IUPAC1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate
SMILESCC(=O)OC(C)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19NO4S/c1-8(15-9(2)12)10-4-6-11(7-5-10)16(3,13)14/h8,10H,4-7H2,1-3H3
InChIKeyCLNTYILYVAOWGN-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.61
Rot. Bonds3

About 1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate

1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate (PubChem CID 68524691) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate
PubChem CID68524691
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate
SMILESCC(=O)OC(C)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19NO4S/c1-8(15-9(2)12)10-4-6-11(7-5-10)16(3,13)14/h8,10H,4-7H2,1-3H3
InChIKeyCLNTYILYVAOWGN-UHFFFAOYSA-N
XLogP0.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate
CID 2763709
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
4-(Ethoxymethyl)-1-methylsulfonylpiperidine
CID 72015221
[1-(Chlorosulfonyl)piperidin-4-yl]methyl acetate
CID 138040564
2,2-Dimethylpropyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 72023293
propan-2-yl 2-[(3R)-1-methylsulfonylpiperidin-3-yl]acetate
CID 164638801
1,1,1,3,3,3-Hexafluoropropan-2-yl 1-methylsulfonylpiperidine-4-carboxylate
CID 90131005
Ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate
CID 21334237
(1-Methylsulfonylpiperidin-4-yl) acetate
CID 57863344
Isopropyl 4-((methylsulfonyloxy)methyl)piperidine-1-carboxylate
CID 57930057
Tert-butyl 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine-4-carboxylate
CID 58898885
2,3-Dimethylbutan-2-yl 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine-4-carboxylate
CID 58898892

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate?
The IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate (CID 68524691) is 1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate is CC(=O)OC(C)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate?
The InChIKey is CLNTYILYVAOWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8(15-9(2)12)10-4-6-11(7-5-10)16(3,13)14/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate?
1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate has a molecular weight of 249.33 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-4-yl)ethyl acetate is sourced from PubChem (CID 68524691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).