(2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine

C14H20F3N3O4S — CID 129339684

IUPAC(2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine
SMILESCS(=O)(=O)N1CCO[C@H](c2nnc([C@H]3CCC[C@@H](C(F)(F)F)C3)o2)C1
InChIInChI=1S/C14H20F3N3O4S/c1-25(21,22)20-5-6-23-11(8-20)13-19-18-12(24-13)9-3-2-4-10(7-9)14(15,16)17/h9-11H,2-8H2,1H3/t9-,10+,11-/m0/s1
InChIKeyOYSLWWCFDPHKMP-AXFHLTTASA-N
MW383.39 g/mol
LogP2.24
Rot. Bonds3

About (2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine

(2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine (PubChem CID 129339684) has the molecular formula C14H20F3N3O4S and a molecular weight of 383.39 g/mol. Its IUPAC name is (2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine.

Molecular Properties

Compound Name(2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine
PubChem CID129339684
Molecular FormulaC14H20F3N3O4S
Molecular Weight383.39 g/mol
Exact Mass383.11
IUPAC Name(2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine
SMILESCS(=O)(=O)N1CCO[C@H](c2nnc([C@H]3CCC[C@@H](C(F)(F)F)C3)o2)C1
InChIInChI=1S/C14H20F3N3O4S/c1-25(21,22)20-5-6-23-11(8-20)13-19-18-12(24-13)9-3-2-4-10(7-9)14(15,16)17/h9-11H,2-8H2,1H3/t9-,10+,11-/m0/s1
InChIKeyOYSLWWCFDPHKMP-AXFHLTTASA-N
XLogP2.24
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine?
The IUPAC name of (2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine (CID 129339684) is (2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine.
What is the SMILES notation for (2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine?
The canonical SMILES for (2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine is CS(=O)(=O)N1CCO[C@H](c2nnc([C@H]3CCC[C@@H](C(F)(F)F)C3)o2)C1.
What is the InChIKey of (2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine?
The InChIKey is OYSLWWCFDPHKMP-AXFHLTTASA-N. The full InChI is InChI=1S/C14H20F3N3O4S/c1-25(21,22)20-5-6-23-11(8-20)13-19-18-12(24-13)9-3-2-4-10(7-9)14(15,16)17/h9-11H,2-8H2,1H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine?
(2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine has a molecular weight of 383.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine is sourced from PubChem (CID 129339684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).