4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine

C13H22N4O4S — CID 124885316

IUPAC4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine
SMILESCc1nc(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)no1
InChIInChI=1S/C13H22N4O4S/c1-11-14-13(15-21-11)10-16-4-2-3-12(9-16)22(18,19)17-5-7-20-8-6-17/h12H,2-10H2,1H3/t12-/m0/s1
InChIKeyYMFGLBKJQVCLCX-LBPRGKRZSA-N
MW330.41 g/mol
LogP0.00
Rot. Bonds4

About 4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine

4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine (PubChem CID 124885316) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine
PubChem CID124885316
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine
SMILESCc1nc(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)no1
InChIInChI=1S/C13H22N4O4S/c1-11-14-13(15-21-11)10-16-4-2-3-12(9-16)22(18,19)17-5-7-20-8-6-17/h12H,2-10H2,1H3/t12-/m0/s1
InChIKeyYMFGLBKJQVCLCX-LBPRGKRZSA-N
XLogP0.00
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine with MolForge

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Related Compounds

(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine
CID 95610360
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
CID 95316835
3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide
CID 154747968
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456
[(3R)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95559782
2-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847441
3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046675
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
4-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]sulfonylmorpholine
CID 166211184
(3R)-N-(3-methylbut-2-enyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95606411
N-(3-methylbut-2-enyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56779683

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine?
The IUPAC name of 4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine (CID 124885316) is 4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine?
The canonical SMILES for 4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine is Cc1nc(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)no1.
What is the InChIKey of 4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine?
The InChIKey is YMFGLBKJQVCLCX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-11-14-13(15-21-11)10-16-4-2-3-12(9-16)22(18,19)17-5-7-20-8-6-17/h12H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of 4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine?
4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine has a molecular weight of 330.41 g/mol, XLogP of 0.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine is sourced from PubChem (CID 124885316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).