ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate

C11H22N2O5S — CID 43501865

IUPACethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C11H22N2O5S/c1-4-18-10(15)9-6-5-7-13(9)19(16,17)12-11(2,3)8-14/h9,12,14H,4-8H2,1-3H3
InChIKeyCLUBALHTARRDGT-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.38
Rot. Bonds6

About ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate

ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate (PubChem CID 43501865) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate
PubChem CID43501865
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Nameethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C11H22N2O5S/c1-4-18-10(15)9-6-5-7-13(9)19(16,17)12-11(2,3)8-14/h9,12,14H,4-8H2,1-3H3
InChIKeyCLUBALHTARRDGT-UHFFFAOYSA-N
XLogP-0.38
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate (CID 43501865) is ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)NC(C)(C)CO.
What is the InChIKey of ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate?
The InChIKey is CLUBALHTARRDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-4-18-10(15)9-6-5-7-13(9)19(16,17)12-11(2,3)8-14/h9,12,14H,4-8H2,1-3H3.
What are the key properties of ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate?
ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate has a molecular weight of 294.37 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43501865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).