ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate

C11H21N3O4S — CID 62380091

IUPACethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NC1CCNC1
InChIInChI=1S/C11H21N3O4S/c1-2-18-11(15)10-4-3-7-14(10)19(16,17)13-9-5-6-12-8-9/h9-10,12-13H,2-8H2,1H3
InChIKeyQHPGVMSUOSFXPW-UHFFFAOYSA-N
MW291.37 g/mol
LogP-0.79
Rot. Bonds5

About ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate

ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate (PubChem CID 62380091) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate
PubChem CID62380091
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Nameethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NC1CCNC1
InChIInChI=1S/C11H21N3O4S/c1-2-18-11(15)10-4-3-7-14(10)19(16,17)13-9-5-6-12-8-9/h9-10,12-13H,2-8H2,1H3
InChIKeyQHPGVMSUOSFXPW-UHFFFAOYSA-N
XLogP-0.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(pyrrolidin-3-ylsulfamoyl)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-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 64590448
ethyl 1-[(2S)-2-methylpiperazin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 82755269
ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate
CID 104982617
ethyl 1-[(2-amino-2-methylpropyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 115303483
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
CID 104981869
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 43362296
ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
CID 43502369
ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
CID 62734431
2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
CID 61263229
ethyl 1-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 115477982
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate (CID 62380091) is ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)NC1CCNC1.
What is the InChIKey of ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate?
The InChIKey is QHPGVMSUOSFXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-2-18-11(15)10-4-3-7-14(10)19(16,17)13-9-5-6-12-8-9/h9-10,12-13H,2-8H2,1H3.
What are the key properties of ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate?
ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate has a molecular weight of 291.37 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62380091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).