ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate

C11H22N2O5S — CID 112548538

IUPACethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)N(C)C(C)CO
InChIInChI=1S/C11H22N2O5S/c1-4-18-11(15)10-6-5-7-13(10)19(16,17)12(3)9(2)8-14/h9-10,14H,4-8H2,1-3H3
InChIKeyPGDPIUAUGNMDTQ-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.43
Rot. Bonds6

About ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate

ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate (PubChem CID 112548538) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
PubChem CID112548538
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Nameethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)N(C)C(C)CO
InChIInChI=1S/C11H22N2O5S/c1-4-18-11(15)10-6-5-7-13(10)19(16,17)12(3)9(2)8-14/h9-10,14H,4-8H2,1-3H3
InChIKeyPGDPIUAUGNMDTQ-UHFFFAOYSA-N
XLogP-0.43
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 61448316
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
CID 104981869
ethyl 1-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 115477982
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonyl-ethylamino]propanoic acid
CID 61009034
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
CID 43502369
ethyl 1-(3-chloro-2-methylpropyl)sulfonylpyrrolidine-2-carboxylate
CID 79586314
ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028384
ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55442436
ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate
CID 47089338
ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 64590448

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate (CID 112548538) is ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)N(C)C(C)CO.
What is the InChIKey of ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate?
The InChIKey is PGDPIUAUGNMDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-4-18-11(15)10-6-5-7-13(10)19(16,17)12(3)9(2)8-14/h9-10,14H,4-8H2,1-3H3.
What are the key properties of ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate?
ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate has a molecular weight of 294.37 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 112548538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).