(2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

C19H25N3O4S — CID 129328175

IUPAC(2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CCO2)o1
InChIInChI=1S/C19H25N3O4S/c1-14-20-21-19(26-14)18-13-22(11-12-25-18)27(23,24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15,18H,2-6,11-13H2,1H3/t18-/m1/s1
InChIKeyYOGCNKNPFVQXJK-GOSISDBHSA-N
MW391.49 g/mol
LogP3.19
Rot. Bonds4

About (2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

(2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 129328175) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is (2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID129328175
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name(2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CCO2)o1
InChIInChI=1S/C19H25N3O4S/c1-14-20-21-19(26-14)18-13-22(11-12-25-18)27(23,24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15,18H,2-6,11-13H2,1H3/t18-/m1/s1
InChIKeyYOGCNKNPFVQXJK-GOSISDBHSA-N
XLogP3.19
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 129004129
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
(2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 129325894
4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 129001065
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2932492
4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 154795711
2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 20867361
1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971532
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
(2R)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonylmorpholine
CID 129327274

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of (2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 129328175) is (2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for (2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for (2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CCO2)o1.
What is the InChIKey of (2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is YOGCNKNPFVQXJK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14-20-21-19(26-14)18-13-22(11-12-25-18)27(23,24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15,18H,2-6,11-13H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
(2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 391.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 129328175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).