(2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine

C17H31N5O4S — CID 94398479

IUPAC(2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)C[C@@H](C)O1
InChIInChI=1S/C17H31N5O4S/c1-13-10-22(11-14(2)25-13)27(23,24)21-8-6-20(7-9-21)12-15-18-16(26-19-15)17(3,4)5/h13-14H,6-12H2,1-5H3/t13-,14-/m1/s1
InChIKeyHVRZSEQUGXHJEG-ZIAGYGMSSA-N
MW401.53 g/mol
LogP0.84
Rot. Bonds4

About (2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine

(2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine (PubChem CID 94398479) has the molecular formula C17H31N5O4S and a molecular weight of 401.53 g/mol. Its IUPAC name is (2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
PubChem CID94398479
Molecular FormulaC17H31N5O4S
Molecular Weight401.53 g/mol
Exact Mass401.21
IUPAC Name(2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)C[C@@H](C)O1
InChIInChI=1S/C17H31N5O4S/c1-13-10-22(11-14(2)25-13)27(23,24)21-8-6-20(7-9-21)12-15-18-16(26-19-15)17(3,4)5/h13-14H,6-12H2,1-5H3/t13-,14-/m1/s1
InChIKeyHVRZSEQUGXHJEG-ZIAGYGMSSA-N
XLogP0.84
TPSA92.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine (CID 94398479) is (2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine is C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The InChIKey is HVRZSEQUGXHJEG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H31N5O4S/c1-13-10-22(11-14(2)25-13)27(23,24)21-8-6-20(7-9-21)12-15-18-16(26-19-15)17(3,4)5/h13-14H,6-12H2,1-5H3/t13-,14-/m1/s1.
What are the key properties of (2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
(2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine has a molecular weight of 401.53 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 94398479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).