1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide

C11H15F3N4O3S — CID 45191688

IUPAC1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCn1ncc(N2CCC(CNS(=O)(=O)C(F)(F)F)C2)cc1=O
InChIInChI=1S/C11H15F3N4O3S/c1-17-10(19)4-9(6-15-17)18-3-2-8(7-18)5-16-22(20,21)11(12,13)14/h4,6,8,16H,2-3,5,7H2,1H3
InChIKeyQARCMRRKJGQIST-UHFFFAOYSA-N
MW340.33 g/mol
LogP0.05
Rot. Bonds4

About 1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide

1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 45191688) has the molecular formula C11H15F3N4O3S and a molecular weight of 340.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID45191688
Molecular FormulaC11H15F3N4O3S
Molecular Weight340.33 g/mol
Exact Mass340.08
IUPAC Name1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCn1ncc(N2CCC(CNS(=O)(=O)C(F)(F)F)C2)cc1=O
InChIInChI=1S/C11H15F3N4O3S/c1-17-10(19)4-9(6-15-17)18-3-2-8(7-18)5-16-22(20,21)11(12,13)14/h4,6,8,16H,2-3,5,7H2,1H3
InChIKeyQARCMRRKJGQIST-UHFFFAOYSA-N
XLogP0.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide (CID 45191688) is 1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide is Cn1ncc(N2CCC(CNS(=O)(=O)C(F)(F)F)C2)cc1=O.
What is the InChIKey of 1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is QARCMRRKJGQIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3S/c1-17-10(19)4-9(6-15-17)18-3-2-8(7-18)5-16-22(20,21)11(12,13)14/h4,6,8,16H,2-3,5,7H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 340.33 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 45191688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).