1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone

C10H16F3NO2S — CID 114236020

IUPAC1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone
SMILESO=C(CSCC(O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C10H16F3NO2S/c11-10(12,13)8(15)6-17-7-9(16)14-4-2-1-3-5-14/h8,15H,1-7H2
InChIKeyWYXVVTIKDKOLGX-UHFFFAOYSA-N
MW271.30 g/mol
LogP1.66
Rot. Bonds4

About 1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone

1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone (PubChem CID 114236020) has the molecular formula C10H16F3NO2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone
PubChem CID114236020
Molecular FormulaC10H16F3NO2S
Molecular Weight271.30 g/mol
Exact Mass271.09
IUPAC Name1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone
SMILESO=C(CSCC(O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C10H16F3NO2S/c11-10(12,13)8(15)6-17-7-9(16)14-4-2-1-3-5-14/h8,15H,1-7H2
InChIKeyWYXVVTIKDKOLGX-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone?
The IUPAC name of 1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone (CID 114236020) is 1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone is O=C(CSCC(O)C(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone?
The InChIKey is WYXVVTIKDKOLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2S/c11-10(12,13)8(15)6-17-7-9(16)14-4-2-1-3-5-14/h8,15H,1-7H2.
What are the key properties of 1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone?
1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone has a molecular weight of 271.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylethanone is sourced from PubChem (CID 114236020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).