1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide

C6H11F3N2O3S — CID 74885047

IUPAC1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide
SMILESCN(C1CNCC1O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-11(4-2-10-3-5(4)12)15(13,14)6(7,8)9/h4-5,10,12H,2-3H2,1H3
InChIKeyREPLFLJRGFLGER-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.90
Rot. Bonds2

About 1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide

1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide (PubChem CID 74885047) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide
PubChem CID74885047
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC Name1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide
SMILESCN(C1CNCC1O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-11(4-2-10-3-5(4)12)15(13,14)6(7,8)9/h4-5,10,12H,2-3H2,1H3
InChIKeyREPLFLJRGFLGER-UHFFFAOYSA-N
XLogP-0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide (CID 74885047) is 1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide is CN(C1CNCC1O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide?
The InChIKey is REPLFLJRGFLGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c1-11(4-2-10-3-5(4)12)15(13,14)6(7,8)9/h4-5,10,12H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide?
1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide has a molecular weight of 248.23 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(4-hydroxypyrrolidin-3-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 74885047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).