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

C10H19F3N2O2S — CID 63090702

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-8(2)18(16,17)14-5-9-3-4-15(6-9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyMPGXODGHQKSAMT-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.20
Rot. Bonds5

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

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide (PubChem CID 63090702) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide
PubChem CID63090702
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-8(2)18(16,17)14-5-9-3-4-15(6-9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyMPGXODGHQKSAMT-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.20
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]propane-2-sulfonamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide (CID 63090702) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide?
The InChIKey is MPGXODGHQKSAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-8(2)18(16,17)14-5-9-3-4-15(6-9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-2-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.20, 5 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]propane-2-sulfonamide is sourced from PubChem (CID 63090702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).