3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C11H13F3N2O2S — CID 155949776

IUPAC3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)10(18)3-4-16(7-10)9(17)15-6-8-2-1-5-19-8/h1-2,5,18H,3-4,6-7H2,(H,15,17)
InChIKeyGLXATZCTPWLHGE-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.96
Rot. Bonds2

About 3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 155949776) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID155949776
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)10(18)3-4-16(7-10)9(17)15-6-8-2-1-5-19-8/h1-2,5,18H,3-4,6-7H2,(H,15,17)
InChIKeyGLXATZCTPWLHGE-UHFFFAOYSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 155949776) is 3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is O=C(NCc1cccs1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is GLXATZCTPWLHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)10(18)3-4-16(7-10)9(17)15-6-8-2-1-5-19-8/h1-2,5,18H,3-4,6-7H2,(H,15,17).
What are the key properties of 3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 155949776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).