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

C10H18F3N3O3S — CID 106336982

IUPACN-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H18F3N3O3S/c1-2-16-20(18,19)6-5-15-8(17)9(10(11,12)13)3-4-14-7-9/h14,16H,2-7H2,1H3,(H,15,17)
InChIKeyWROMLTVWSNZROZ-UHFFFAOYSA-N
MW317.33 g/mol
LogP-0.42
Rot. Bonds6

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

N-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106336982) has the molecular formula C10H18F3N3O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106336982
Molecular FormulaC10H18F3N3O3S
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC NameN-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H18F3N3O3S/c1-2-16-20(18,19)6-5-15-8(17)9(10(11,12)13)3-4-14-7-9/h14,16H,2-7H2,1H3,(H,15,17)
InChIKeyWROMLTVWSNZROZ-UHFFFAOYSA-N
XLogP-0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106336982) is N-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCNS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is WROMLTVWSNZROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3S/c1-2-16-20(18,19)6-5-15-8(17)9(10(11,12)13)3-4-14-7-9/h14,16H,2-7H2,1H3,(H,15,17).
What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 317.33 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfamoyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106336982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).