N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H17F3N2OS — CID 63709141

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H17F3N2OS/c1-9-3-6-20-10(9)7-18(2)11(19)12(13(14,15)16)4-5-17-8-12/h3,6,17H,4-5,7-8H2,1-2H3
InChIKeyQUSRRCYOUCIFHL-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.56
Rot. Bonds3

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709141) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709141
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H17F3N2OS/c1-9-3-6-20-10(9)7-18(2)11(19)12(13(14,15)16)4-5-17-8-12/h3,6,17H,4-5,7-8H2,1-2H3
InChIKeyQUSRRCYOUCIFHL-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709141) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1ccsc1CN(C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is QUSRRCYOUCIFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-9-3-6-20-10(9)7-18(2)11(19)12(13(14,15)16)4-5-17-8-12/h3,6,17H,4-5,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).