N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C9H16F3N3O3S — CID 106336601

IUPACN-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O3S/c1-13-19(17,18)5-4-15-7(16)8(9(10,11)12)2-3-14-6-8/h13-14H,2-6H2,1H3,(H,15,16)
InChIKeyCHCZYOVOMIUMBI-UHFFFAOYSA-N
MW303.31 g/mol
LogP-0.81
Rot. Bonds5

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

N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106336601) has the molecular formula C9H16F3N3O3S and a molecular weight of 303.31 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106336601
Molecular FormulaC9H16F3N3O3S
Molecular Weight303.31 g/mol
Exact Mass303.09
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O3S/c1-13-19(17,18)5-4-15-7(16)8(9(10,11)12)2-3-14-6-8/h13-14H,2-6H2,1H3,(H,15,16)
InChIKeyCHCZYOVOMIUMBI-UHFFFAOYSA-N
XLogP-0.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethylsulfonyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 164633683
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide
CID 45200775
N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227453
(1,1-Dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 55227455
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227641
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708604
N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708620
(4-Methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708778
N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708943
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708959
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709140
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709311

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106336601) is N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CNS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is CHCZYOVOMIUMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3S/c1-13-19(17,18)5-4-15-7(16)8(9(10,11)12)2-3-14-6-8/h13-14H,2-6H2,1H3,(H,15,16).
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 303.31 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106336601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).