ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate

C13H26N2O5S — CID 61448316

IUPACethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCCCN(CCO)S(=O)(=O)N1CCCC1C(=O)OCC
InChIInChI=1S/C13H26N2O5S/c1-3-5-8-14(10-11-16)21(18,19)15-9-6-7-12(15)13(17)20-4-2/h12,16H,3-11H2,1-2H3
InChIKeyKJPRHHYTFOSEEH-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.35
Rot. Bonds9

About ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate

ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate (PubChem CID 61448316) has the molecular formula C13H26N2O5S and a molecular weight of 322.43 g/mol. Its IUPAC name is ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate
PubChem CID61448316
Molecular FormulaC13H26N2O5S
Molecular Weight322.43 g/mol
Exact Mass322.16
IUPAC Nameethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCCCN(CCO)S(=O)(=O)N1CCCC1C(=O)OCC
InChIInChI=1S/C13H26N2O5S/c1-3-5-8-14(10-11-16)21(18,19)15-9-6-7-12(15)13(17)20-4-2/h12,16H,3-11H2,1-2H3
InChIKeyKJPRHHYTFOSEEH-UHFFFAOYSA-N
XLogP0.35
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonyl-ethylamino]propanoic acid
CID 61009034
ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 112548538
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
CID 61448219
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
ethyl 1-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 115477982
N-(2-hydroxyethyl)-2-methyl-N-propylpiperidine-1-sulfonamide
CID 61425514
2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342838
tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate
CID 81005114
ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
CID 62734431
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 43362296

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate (CID 61448316) is ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate is CCCCN(CCO)S(=O)(=O)N1CCCC1C(=O)OCC.
What is the InChIKey of ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate?
The InChIKey is KJPRHHYTFOSEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S/c1-3-5-8-14(10-11-16)21(18,19)15-9-6-7-12(15)13(17)20-4-2/h12,16H,3-11H2,1-2H3.
What are the key properties of ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate?
ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate has a molecular weight of 322.43 g/mol, XLogP of 0.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 61448316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).