ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate

C12H24N2O6S — CID 103876035

IUPACethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCCC(O)COC
InChIInChI=1S/C12H24N2O6S/c1-3-20-12(16)11-5-4-8-14(11)21(17,18)13-7-6-10(15)9-19-2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyFXPBQBPCFOOJKC-UHFFFAOYSA-N
MW324.40 g/mol
LogP-0.75
Rot. Bonds9

About ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate

ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate (PubChem CID 103876035) has the molecular formula C12H24N2O6S and a molecular weight of 324.40 g/mol. Its IUPAC name is ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate
PubChem CID103876035
Molecular FormulaC12H24N2O6S
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Nameethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCCC(O)COC
InChIInChI=1S/C12H24N2O6S/c1-3-20-12(16)11-5-4-8-14(11)21(17,18)13-7-6-10(15)9-19-2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyFXPBQBPCFOOJKC-UHFFFAOYSA-N
XLogP-0.75
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 106244592
ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
CID 43502369
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 43362296
ethyl 1-[(2-amino-2-methylpropyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 115303483
ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 64590448
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
CID 62734431
ethyl 1-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 115477982
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
CID 104981869
2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
CID 61263229
ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate
CID 103848070
ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 62380091

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate (CID 103876035) is ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)NCCC(O)COC.
What is the InChIKey of ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate?
The InChIKey is FXPBQBPCFOOJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6S/c1-3-20-12(16)11-5-4-8-14(11)21(17,18)13-7-6-10(15)9-19-2/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate?
ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate has a molecular weight of 324.40 g/mol, XLogP of -0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 103876035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).