ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate

C12H22N2O6S — CID 103848070

IUPACethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H22N2O6S/c1-2-20-11(15)10-4-3-6-14(10)21(17,18)13-8-12(16)5-7-19-9-12/h10,13,16H,2-9H2,1H3
InChIKeyJUXUEYXIBGPDKW-UHFFFAOYSA-N
MW322.38 g/mol
LogP-1.00
Rot. Bonds6

About ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate

ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate (PubChem CID 103848070) has the molecular formula C12H22N2O6S and a molecular weight of 322.38 g/mol. Its IUPAC name is ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate
PubChem CID103848070
Molecular FormulaC12H22N2O6S
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Nameethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H22N2O6S/c1-2-20-11(15)10-4-3-6-14(10)21(17,18)13-8-12(16)5-7-19-9-12/h10,13,16H,2-9H2,1H3
InChIKeyJUXUEYXIBGPDKW-UHFFFAOYSA-N
XLogP-1.00
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
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ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
CID 62734431
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ethyl 1-[(1-hydroxycyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
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2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
CID 61263229
ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 103876035
N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 103848126
ethyl 1-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 115477982
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
CID 104981869

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate (CID 103848070) is ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)NCC1(O)CCOC1.
What is the InChIKey of ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate?
The InChIKey is JUXUEYXIBGPDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6S/c1-2-20-11(15)10-4-3-6-14(10)21(17,18)13-8-12(16)5-7-19-9-12/h10,13,16H,2-9H2,1H3.
What are the key properties of ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate?
ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate has a molecular weight of 322.38 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 103848070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).