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

C10H18F3N3O3S — CID 106337218

IUPACN-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H18F3N3O3S/c1-16(2)20(18,19)6-5-15-8(17)9(10(11,12)13)3-4-14-7-9/h14H,3-7H2,1-2H3,(H,15,17)
InChIKeyFCZDVEGAVDRXIM-UHFFFAOYSA-N
MW317.33 g/mol
LogP-0.46
Rot. Bonds5

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

N-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106337218) has the molecular formula C10H18F3N3O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106337218
Molecular FormulaC10H18F3N3O3S
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H18F3N3O3S/c1-16(2)20(18,19)6-5-15-8(17)9(10(11,12)13)3-4-14-7-9/h14H,3-7H2,1-2H3,(H,15,17)
InChIKeyFCZDVEGAVDRXIM-UHFFFAOYSA-N
XLogP-0.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106337218) is N-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(C)S(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is FCZDVEGAVDRXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3S/c1-16(2)20(18,19)6-5-15-8(17)9(10(11,12)13)3-4-14-7-9/h14H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 317.33 g/mol, XLogP of -0.46, 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]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106337218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).