propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate

C11H21NO4S — CID 136531768

IUPACpropan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate
SMILESCC(C)OC(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H21NO4S/c1-9(2)16-11(13)7-10-5-4-6-12(8-10)17(3,14)15/h9-10H,4-8H2,1-3H3
InChIKeyZEFASWPURRTBIC-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.00
Rot. Bonds4

About propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate

propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate (PubChem CID 136531768) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate
PubChem CID136531768
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namepropan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate
SMILESCC(C)OC(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H21NO4S/c1-9(2)16-11(13)7-10-5-4-6-12(8-10)17(3,14)15/h9-10H,4-8H2,1-3H3
InChIKeyZEFASWPURRTBIC-UHFFFAOYSA-N
XLogP1.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
propan-2-yl 2-[(3R)-1-methylsulfonylpiperidin-3-yl]acetate
CID 164638801
Ethyl 7-(methylsulfonyl)-7-azaspiro[3.5]nonane-2-carboxylate
CID 59333125
Methyl 4-(1-methylsulfonylpiperidin-4-yl)butanoate
CID 59786127
1-(1-Methylsulfonylpiperidin-4-yl)ethyl acetate
CID 68524691
Ethyl 7-methanidylsulfonyl-7-azaspiro[3.5]nonane-2-carboxylate
CID 91088158
Propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate
CID 118241684
Propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate
CID 118241879
2-(1-Methylsulfonylpiperidin-3-yl)acetic acid
CID 49759536
Cyclohexyl 1-butylsulfonylpiperidine-4-carboxylate
CID 52639093
2-[1-(2-Methoxyethylsulfonyl)piperidin-3-yl]acetic acid
CID 55105668
2-[1-(1-Methoxy-1-oxopropan-2-yl)sulfonylpiperidin-3-yl]acetic acid
CID 55105669

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
The IUPAC name of propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate (CID 136531768) is propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
The canonical SMILES for propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate is CC(C)OC(=O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
The InChIKey is ZEFASWPURRTBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(2)16-11(13)7-10-5-4-6-12(8-10)17(3,14)15/h9-10H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate has a molecular weight of 263.36 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate is sourced from PubChem (CID 136531768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).