2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C10H19F3N2O3S — CID 55009641

IUPAC2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H19F3N2O3S/c1-18-6-7-19(16,17)15(8-10(11,12)13)9-2-4-14-5-3-9/h9,14H,2-8H2,1H3
InChIKeyXNGHGONIFOLALE-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.58
Rot. Bonds6

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

2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 55009641) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID55009641
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H19F3N2O3S/c1-18-6-7-19(16,17)15(8-10(11,12)13)9-2-4-14-5-3-9/h9,14H,2-8H2,1H3
InChIKeyXNGHGONIFOLALE-UHFFFAOYSA-N
XLogP0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 55009641) is 2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is COCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is XNGHGONIFOLALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-18-6-7-19(16,17)15(8-10(11,12)13)9-2-4-14-5-3-9/h9,14H,2-8H2,1H3.
What are the key properties of 2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 55009641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).