N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide

C9H19N3O3S — CID 106337238

IUPACN-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C1CCNC1
InChIInChI=1S/C9H19N3O3S/c1-12(2)16(14,15)6-5-11-9(13)8-3-4-10-7-8/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyGTIGOBTVTUSBPR-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.40
Rot. Bonds5

About N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide

N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 106337238) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID106337238
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C1CCNC1
InChIInChI=1S/C9H19N3O3S/c1-12(2)16(14,15)6-5-11-9(13)8-3-4-10-7-8/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyGTIGOBTVTUSBPR-UHFFFAOYSA-N
XLogP-1.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
N-[2-(dimethylsulfamoyl)ethyl]-2-piperidin-3-ylacetamide
CID 106337529
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-2-carboxamide
CID 106337362
N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 103814267
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
(3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide
CID 124735778
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
N-[2-(dimethylsulfamoyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 106337275
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644143
N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
CID 119852584

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide (CID 106337238) is N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide is CN(C)S(=O)(=O)CCNC(=O)C1CCNC1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is GTIGOBTVTUSBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-12(2)16(14,15)6-5-11-9(13)8-3-4-10-7-8/h8,10H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 249.34 g/mol, XLogP of -1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 106337238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).