N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide

C8H15F3N2O2S — CID 61059356

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)12-4-7-2-3-13(5-7)6-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyMQBUFANHLSHINO-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.42
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 61059356) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID61059356
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)12-4-7-2-3-13(5-7)6-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyMQBUFANHLSHINO-UHFFFAOYSA-N
XLogP0.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide (CID 61059356) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is MQBUFANHLSHINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-16(14,15)12-4-7-2-3-13(5-7)6-8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 61059356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).