ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate

C11H21NO5S — CID 79611825

IUPACethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
SMILESCCOC(=O)C(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H21NO5S/c1-3-17-11(14)10(13)7-9-5-4-6-12(8-9)18(2,15)16/h9-10,13H,3-8H2,1-2H3
InChIKeyDEXRPABERIBRER-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.03
Rot. Bonds5

About ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate

ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate (PubChem CID 79611825) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
PubChem CID79611825
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nameethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
SMILESCCOC(=O)C(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H21NO5S/c1-3-17-11(14)10(13)7-9-5-4-6-12(8-9)18(2,15)16/h9-10,13H,3-8H2,1-2H3
InChIKeyDEXRPABERIBRER-UHFFFAOYSA-N
XLogP-0.03
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-ol
CID 116711480
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
CID 115820309
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine
CID 116717542
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 79610035
3-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 79610034
1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610293
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79623080

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate?
The IUPAC name of ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate (CID 79611825) is ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate is CCOC(=O)C(O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate?
The InChIKey is DEXRPABERIBRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-3-17-11(14)10(13)7-9-5-4-6-12(8-9)18(2,15)16/h9-10,13H,3-8H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate?
ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate has a molecular weight of 279.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate is sourced from PubChem (CID 79611825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).