2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide

C9H17F3N2O3S — CID 82811693

IUPAC2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C9H17F3N2O3S/c1-17-4-5-18(15,16)14-7-2-3-8(13-6-7)9(10,11)12/h7-8,13-14H,2-6H2,1H3
InChIKeyOCPFMFKFQSACFO-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.24
Rot. Bonds5

About 2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide

2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide (PubChem CID 82811693) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
PubChem CID82811693
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC Name2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C9H17F3N2O3S/c1-17-4-5-18(15,16)14-7-2-3-8(13-6-7)9(10,11)12/h7-8,13-14H,2-6H2,1H3
InChIKeyOCPFMFKFQSACFO-UHFFFAOYSA-N
XLogP0.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide (CID 82811693) is 2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide is COCCS(=O)(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
The InChIKey is OCPFMFKFQSACFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c1-17-4-5-18(15,16)14-7-2-3-8(13-6-7)9(10,11)12/h7-8,13-14H,2-6H2,1H3.
What are the key properties of 2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide has a molecular weight of 290.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 82811693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).