N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C12H23F3N2O3S — CID 79592410

IUPACN-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H23F3N2O3S/c1-10(2)20-7-8-21(18,19)17(9-12(13,14)15)11-3-5-16-6-4-11/h10-11,16H,3-9H2,1-2H3
InChIKeyHVUYEGDOJJTOFW-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.36
Rot. Bonds7

About N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 79592410) has the molecular formula C12H23F3N2O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID79592410
Molecular FormulaC12H23F3N2O3S
Molecular Weight332.39 g/mol
Exact Mass332.14
IUPAC NameN-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H23F3N2O3S/c1-10(2)20-7-8-21(18,19)17(9-12(13,14)15)11-3-5-16-6-4-11/h10-11,16H,3-9H2,1-2H3
InChIKeyHVUYEGDOJJTOFW-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.36
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-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 79592410) is N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CC(C)OCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is HVUYEGDOJJTOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O3S/c1-10(2)20-7-8-21(18,19)17(9-12(13,14)15)11-3-5-16-6-4-11/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 79592410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).