ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate

C9H17NO6S — CID 10445686

IUPACethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate
SMILESCCOC(=O)C(O)CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H17NO6S/c1-2-16-9(12)8(11)7-17(13,14)10-3-5-15-6-4-10/h8,11H,2-7H2,1H3
InChIKeyHUPNGFWWAUFEAX-UHFFFAOYSA-N
MW267.30 g/mol
LogP-1.43
Rot. Bonds5

About ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate

ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate (PubChem CID 10445686) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate
PubChem CID10445686
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Nameethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate
SMILESCCOC(=O)C(O)CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H17NO6S/c1-2-16-9(12)8(11)7-17(13,14)10-3-5-15-6-4-10/h8,11H,2-7H2,1H3
InChIKeyHUPNGFWWAUFEAX-UHFFFAOYSA-N
XLogP-1.43
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate
CID 10088913
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpropanoic acid
CID 28773475
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid
CID 28773487
3-(2,6-Dimethylmorpholin-4-yl)sulfonylpropanoic acid
CID 43209517
2-(2,6-Dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43209519
3-(2-Methylmorpholin-4-yl)sulfonylpropanoic acid
CID 43209522
3-(2-Ethylmorpholin-4-yl)sulfonylpropanoic acid
CID 43562581
Ethyl 3-[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]propanoate
CID 54998649
2-(2,6-Dimethylmorpholin-4-yl)sulfonylpropanoic acid
CID 61454330
2-(2-Methylmorpholin-4-yl)sulfonylpropanoic acid
CID 61454365
2-(2-Ethylmorpholin-4-yl)sulfonylpropanoic acid
CID 61454982
4-(2-Methoxyethylsulfonyl)morpholine-2-carboxylic acid
CID 61735970

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate?
The IUPAC name of ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate (CID 10445686) is ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate?
The canonical SMILES for ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate is CCOC(=O)C(O)CS(=O)(=O)N1CCOCC1.
What is the InChIKey of ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate?
The InChIKey is HUPNGFWWAUFEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-2-16-9(12)8(11)7-17(13,14)10-3-5-15-6-4-10/h8,11H,2-7H2,1H3.
What are the key properties of ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate?
ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate has a molecular weight of 267.30 g/mol, XLogP of -1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate is sourced from PubChem (CID 10445686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).