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

C8H13F3N2O3S — CID 114809636

IUPAC3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CC(O)(C2CC2)C1
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)3-12-17(15,16)13-4-7(14,5-13)6-1-2-6/h6,12,14H,1-5H2
InChIKeySZOJUWBWQYOUJF-UHFFFAOYSA-N
MW274.26 g/mol
LogP-0.16
Rot. Bonds4

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

3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide (PubChem CID 114809636) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
PubChem CID114809636
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CC(O)(C2CC2)C1
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)3-12-17(15,16)13-4-7(14,5-13)6-1-2-6/h6,12,14H,1-5H2
InChIKeySZOJUWBWQYOUJF-UHFFFAOYSA-N
XLogP-0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
The IUPAC name of 3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide (CID 114809636) is 3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
The canonical SMILES for 3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CC(O)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
The InChIKey is SZOJUWBWQYOUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c9-8(10,11)3-12-17(15,16)13-4-7(14,5-13)6-1-2-6/h6,12,14H,1-5H2.
What are the key properties of 3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide has a molecular weight of 274.26 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide is sourced from PubChem (CID 114809636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).