N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H17F3N2OS — CID 63708756

IUPACN-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C(F)(F)F)CCNC1)C1CCSC1
InChIInChI=1S/C11H17F3N2OS/c1-16(8-2-5-18-6-8)9(17)10(11(12,13)14)3-4-15-7-10/h8,15H,2-7H2,1H3
InChIKeyBWDRAGROLIFBNB-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.49
Rot. Bonds2

About N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708756) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708756
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C(F)(F)F)CCNC1)C1CCSC1
InChIInChI=1S/C11H17F3N2OS/c1-16(8-2-5-18-6-8)9(17)10(11(12,13)14)3-4-15-7-10/h8,15H,2-7H2,1H3
InChIKeyBWDRAGROLIFBNB-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708756) is N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(C(=O)C1(C(F)(F)F)CCNC1)C1CCSC1.
What is the InChIKey of N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is BWDRAGROLIFBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-16(8-2-5-18-6-8)9(17)10(11(12,13)14)3-4-15-7-10/h8,15H,2-7H2,1H3.
What are the key properties of N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).