2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid

C10H14F3NO3S — CID 113218897

IUPAC2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H14F3NO3S/c11-10(12,13)7-2-1-3-14(4-7)8(15)5-18-6-9(16)17/h7H,1-6H2,(H,16,17)
InChIKeyRACRYYXDNVASQJ-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.61
Rot. Bonds4

About 2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid

2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid (PubChem CID 113218897) has the molecular formula C10H14F3NO3S and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid
PubChem CID113218897
Molecular FormulaC10H14F3NO3S
Molecular Weight285.29 g/mol
Exact Mass285.06
IUPAC Name2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H14F3NO3S/c11-10(12,13)7-2-1-3-14(4-7)8(15)5-18-6-9(16)17/h7H,1-6H2,(H,16,17)
InChIKeyRACRYYXDNVASQJ-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid (CID 113218897) is 2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid is O=C(O)CSCC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid?
The InChIKey is RACRYYXDNVASQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3S/c11-10(12,13)7-2-1-3-14(4-7)8(15)5-18-6-9(16)17/h7H,1-6H2,(H,16,17).
What are the key properties of 2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid?
2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid has a molecular weight of 285.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanylacetic acid is sourced from PubChem (CID 113218897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).