ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate

C11H21NO5S — CID 103270353

IUPACethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C11H21NO5S/c1-2-17-11(14)5-6-18(15,16)12-8-9-3-4-10(13)7-9/h9-10,12-13H,2-8H2,1H3
InChIKeyQSHJNUJGDXPLKP-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.02
Rot. Bonds7

About ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate

ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate (PubChem CID 103270353) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
PubChem CID103270353
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nameethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C11H21NO5S/c1-2-17-11(14)5-6-18(15,16)12-8-9-3-4-10(13)7-9/h9-10,12-13H,2-8H2,1H3
InChIKeyQSHJNUJGDXPLKP-UHFFFAOYSA-N
XLogP0.02
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate
CID 113318541
N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
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ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate
CID 61459369
ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate
CID 54951121
2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide
CID 66006743
methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 106125364
ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate
CID 134086046
ethyl 4-(cyclopropylmethylsulfonylamino)butanoate
CID 64988986
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
ethyl 3-(2-aminobutylsulfamoyl)propanoate
CID 63730554
ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate
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ethyl 3-(2-cyanoethylsulfamoyl)propanoate
CID 62653299

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate?
The IUPAC name of ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate (CID 103270353) is ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)NCC1CCC(O)C1.
What is the InChIKey of ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate?
The InChIKey is QSHJNUJGDXPLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-2-17-11(14)5-6-18(15,16)12-8-9-3-4-10(13)7-9/h9-10,12-13H,2-8H2,1H3.
What are the key properties of ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate?
ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate has a molecular weight of 279.36 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate is sourced from PubChem (CID 103270353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).