3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide

C8H15F3N2O3S — CID 114809623

IUPAC3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
SMILESCCCC1(O)CN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O3S/c1-2-3-7(14)5-13(6-7)17(15,16)12-4-8(9,10)11/h12,14H,2-6H2,1H3
InChIKeyYJYAZSLYMHWVAS-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.23
Rot. Bonds5

About 3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide

3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide (PubChem CID 114809623) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
PubChem CID114809623
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
SMILESCCCC1(O)CN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O3S/c1-2-3-7(14)5-13(6-7)17(15,16)12-4-8(9,10)11/h12,14H,2-6H2,1H3
InChIKeyYJYAZSLYMHWVAS-UHFFFAOYSA-N
XLogP0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide (CID 114809623) is 3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide is CCCC1(O)CN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
The InChIKey is YJYAZSLYMHWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-2-3-7(14)5-13(6-7)17(15,16)12-4-8(9,10)11/h12,14H,2-6H2,1H3.
What are the key properties of 3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide has a molecular weight of 276.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide is sourced from PubChem (CID 114809623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).