1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide

About 1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide

1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 167117618) has the molecular formula C19H27F3N4O5S and a molecular weight of 480.51 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name	1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
PubChem CID	167117618
Molecular Formula	C19H27F3N4O5S
Molecular Weight	480.51 g/mol
Exact Mass	480.17
IUPAC Name	1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
SMILES	O=CCOc1nccnc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(=O)(=O)C(F)(F)F)CC1
InChI	InChI=1S/C19H27F3N4O5S/c20-19(21,22)32(28,29)26-15-2-1-7-23-16(15)12-31-14-5-3-13(4-6-14)17-18(30-11-10-27)25-9-8-24-17/h8-10,13-16,23,26H,1-7,11-12H2/t13?,14?,15-,16-/m0/s1
InChIKey	SBHDGMXTWUMYMI-CKUJCDMFSA-N
XLogP	1.66
TPSA	119.51 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.51
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?

The IUPAC name of 1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide (CID 167117618) is 1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide.

What is the SMILES notation for 1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?

The canonical SMILES for 1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide is O=CCOc1nccnc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(=O)(=O)C(F)(F)F)CC1.

What is the InChIKey of 1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?

The InChIKey is SBHDGMXTWUMYMI-CKUJCDMFSA-N. The full InChI is InChI=1S/C19H27F3N4O5S/c20-19(21,22)32(28,29)26-15-2-1-7-23-16(15)12-31-14-5-3-13(4-6-14)17-18(30-11-10-27)25-9-8-24-17/h8-10,13-16,23,26H,1-7,11-12H2/t13?,14?,15-,16-/m0/s1.

What are the key properties of 1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?

1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 480.51 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-N-[(2R,3S)-2-[[4-[3-(2-oxoethoxy)pyrazin-2-yl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 167117618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).