N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide

C12H21F3N2O3S — CID 62049544

IUPACN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide
SMILESO=S(=O)(C1CCOCC1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H21F3N2O3S/c13-12(14,15)9-17(10-1-5-16-6-2-10)21(18,19)11-3-7-20-8-4-11/h10-11,16H,1-9H2
InChIKeyGFKGJNQXUXCNTR-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.11
Rot. Bonds4

About N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide (PubChem CID 62049544) has the molecular formula C12H21F3N2O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide
PubChem CID62049544
Molecular FormulaC12H21F3N2O3S
Molecular Weight330.37 g/mol
Exact Mass330.12
IUPAC NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide
SMILESO=S(=O)(C1CCOCC1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H21F3N2O3S/c13-12(14,15)9-17(10-1-5-16-6-2-10)21(18,19)11-3-7-20-8-4-11/h10-11,16H,1-9H2
InChIKeyGFKGJNQXUXCNTR-UHFFFAOYSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide?
The IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide (CID 62049544) is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide is O=S(=O)(C1CCOCC1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide?
The InChIKey is GFKGJNQXUXCNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3S/c13-12(14,15)9-17(10-1-5-16-6-2-10)21(18,19)11-3-7-20-8-4-11/h10-11,16H,1-9H2.
What are the key properties of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide?
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide is sourced from PubChem (CID 62049544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).