ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate

C11H22N2O5S — CID 104981869

IUPACethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)N[C@@H](CC)CO
InChIInChI=1S/C11H22N2O5S/c1-3-9(8-14)12-19(16,17)13-7-5-6-10(13)11(15)18-4-2/h9-10,12,14H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyLYISQBNHEXFHPV-RGURZIINSA-N
MW294.37 g/mol
LogP-0.38
Rot. Bonds7

About ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate

ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate (PubChem CID 104981869) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
PubChem CID104981869
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Nameethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)N[C@@H](CC)CO
InChIInChI=1S/C11H22N2O5S/c1-3-9(8-14)12-19(16,17)13-7-5-6-10(13)11(15)18-4-2/h9-10,12,14H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyLYISQBNHEXFHPV-RGURZIINSA-N
XLogP-0.38
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
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ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
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ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
CID 43502369
ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 112548538
ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 64590448
ethyl 1-[(2-amino-2-methylpropyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 115303483
ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 62380091
ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
CID 62734431
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 43362296
2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
CID 61263229
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 103876035

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate (CID 104981869) is ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)N[C@@H](CC)CO.
What is the InChIKey of ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate?
The InChIKey is LYISQBNHEXFHPV-RGURZIINSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-3-9(8-14)12-19(16,17)13-7-5-6-10(13)11(15)18-4-2/h9-10,12,14H,3-8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate?
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate has a molecular weight of 294.37 g/mol, XLogP of -0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 104981869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).