(2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

C15H25N3O5S — CID 129331624

IUPAC(2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESC[C@@H]1CCCC[C@@H]1OCc1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)o1
InChIInChI=1S/C15H25N3O5S/c1-11-5-3-4-6-12(11)22-10-14-16-17-15(23-14)13-9-18(7-8-21-13)24(2,19)20/h11-13H,3-10H2,1-2H3/t11-,12+,13+/m1/s1
InChIKeyCGNJPAOITRVANT-AGIUHOORSA-N
MW359.45 g/mol
LogP1.50
Rot. Bonds5

About (2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

(2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (PubChem CID 129331624) has the molecular formula C15H25N3O5S and a molecular weight of 359.45 g/mol. Its IUPAC name is (2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name(2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
PubChem CID129331624
Molecular FormulaC15H25N3O5S
Molecular Weight359.45 g/mol
Exact Mass359.15
IUPAC Name(2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESC[C@@H]1CCCC[C@@H]1OCc1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)o1
InChIInChI=1S/C15H25N3O5S/c1-11-5-3-4-6-12(11)22-10-14-16-17-15(23-14)13-9-18(7-8-21-13)24(2,19)20/h11-13H,3-10H2,1-2H3/t11-,12+,13+/m1/s1
InChIKeyCGNJPAOITRVANT-AGIUHOORSA-N
XLogP1.50
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The IUPAC name of (2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (CID 129331624) is (2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.
What is the SMILES notation for (2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The canonical SMILES for (2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is C[C@@H]1CCCC[C@@H]1OCc1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)o1.
What is the InChIKey of (2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The InChIKey is CGNJPAOITRVANT-AGIUHOORSA-N. The full InChI is InChI=1S/C15H25N3O5S/c1-11-5-3-4-6-12(11)22-10-14-16-17-15(23-14)13-9-18(7-8-21-13)24(2,19)20/h11-13H,3-10H2,1-2H3/t11-,12+,13+/m1/s1.
What are the key properties of (2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
(2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine has a molecular weight of 359.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is sourced from PubChem (CID 129331624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).