N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C8H14F3N3O3S — CID 63708943

IUPACN-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H14F3N3O3S/c9-8(10,11)7(1-2-13-5-7)6(15)14-3-4-18(12,16)17/h13H,1-5H2,(H,14,15)(H2,12,16,17)
InChIKeyIARVEQVBSOGEGO-UHFFFAOYSA-N
MW289.28 g/mol
LogP-1.07
Rot. Bonds4

About N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708943) has the molecular formula C8H14F3N3O3S and a molecular weight of 289.28 g/mol. Its IUPAC name is N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708943
Molecular FormulaC8H14F3N3O3S
Molecular Weight289.28 g/mol
Exact Mass289.07
IUPAC NameN-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H14F3N3O3S/c9-8(10,11)7(1-2-13-5-7)6(15)14-3-4-18(12,16)17/h13H,1-5H2,(H,14,15)(H2,12,16,17)
InChIKeyIARVEQVBSOGEGO-UHFFFAOYSA-N
XLogP-1.07
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 5-1.07
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
1-(2,2,2-Trifluoroethylsulfonyl)pyrrolidine-3-carboxamide
CID 175836971
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-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708620
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709140
N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709470
(1-Oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709678
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710059
N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63864530

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708943) is N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is NS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is IARVEQVBSOGEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3S/c9-8(10,11)7(1-2-13-5-7)6(15)14-3-4-18(12,16)17/h13H,1-5H2,(H,14,15)(H2,12,16,17).
What are the key properties of N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 289.28 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).