3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

C7H13F3N2O3S — CID 114809442

IUPAC3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCC(CO)C1
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)5-11-16(14,15)12-2-1-6(3-12)4-13/h6,11,13H,1-5H2
InChIKeyOIJAFUUTQZOPEY-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.30
Rot. Bonds4

About 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 114809442) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID114809442
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCC(CO)C1
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)5-11-16(14,15)12-2-1-6(3-12)4-13/h6,11,13H,1-5H2
InChIKeyOIJAFUUTQZOPEY-UHFFFAOYSA-N
XLogP-0.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62372919
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 104858688
3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809756
3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809896
3-(Hydroxymethyl)pyrrolidine-1-sulfonamide
CID 112692608
3-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 114809440
N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 115902795

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 114809442) is 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is OIJAFUUTQZOPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c8-7(9,10)5-11-16(14,15)12-2-1-6(3-12)4-13/h6,11,13H,1-5H2.
What are the key properties of 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 262.25 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114809442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).