N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H19F3N2OS — CID 112659318

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCSCC(C)N(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2OS/c1-8(6-18-3)16(2)9(17)10(11(12,13)14)4-5-15-7-10/h8,15H,4-7H2,1-3H3
InChIKeySBVPDQWFIIZGBV-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.74
Rot. Bonds4

About N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 112659318) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID112659318
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCSCC(C)N(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2OS/c1-8(6-18-3)16(2)9(17)10(11(12,13)14)4-5-15-7-10/h8,15H,4-7H2,1-3H3
InChIKeySBVPDQWFIIZGBV-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 112659318) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CSCC(C)N(C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is SBVPDQWFIIZGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-8(6-18-3)16(2)9(17)10(11(12,13)14)4-5-15-7-10/h8,15H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 284.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 112659318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).