N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H17F3N2O3S — CID 63710059

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)10(2-3-15-7-10)9(17)16-5-8-1-4-20(18,19)6-8/h8,15H,1-7H2,(H,16,17)
InChIKeyRUHHHRUDDADYHT-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.08
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710059) has the molecular formula C11H17F3N2O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710059
Molecular FormulaC11H17F3N2O3S
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)10(2-3-15-7-10)9(17)16-5-8-1-4-20(18,19)6-8/h8,15H,1-7H2,(H,16,17)
InChIKeyRUHHHRUDDADYHT-UHFFFAOYSA-N
XLogP0.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710059) is N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCC1CCS(=O)(=O)C1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is RUHHHRUDDADYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3S/c12-11(13,14)10(2-3-15-7-10)9(17)16-5-8-1-4-20(18,19)6-8/h8,15H,1-7H2,(H,16,17).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).