(3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine

C15H26N4O3S — CID 95307526

IUPAC(3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
SMILESCC(C)c1noc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)n1
InChIInChI=1S/C15H26N4O3S/c1-11(2)15-17-14(22-18-15)8-16-12-9-23(20,21)10-13(12)19-6-4-3-5-7-19/h11-13,16H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyXBQPSXJHFLKTEL-STQMWFEESA-N
MW342.47 g/mol
LogP0.93
Rot. Bonds5

About (3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine

(3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine (PubChem CID 95307526) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is (3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name(3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
PubChem CID95307526
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name(3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
SMILESCC(C)c1noc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)n1
InChIInChI=1S/C15H26N4O3S/c1-11(2)15-17-14(22-18-15)8-16-12-9-23(20,21)10-13(12)19-6-4-3-5-7-19/h11-13,16H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyXBQPSXJHFLKTEL-STQMWFEESA-N
XLogP0.93
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine?
The IUPAC name of (3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine (CID 95307526) is (3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine.
What is the SMILES notation for (3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine?
The canonical SMILES for (3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine is CC(C)c1noc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)n1.
What is the InChIKey of (3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine?
The InChIKey is XBQPSXJHFLKTEL-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-11(2)15-17-14(22-18-15)8-16-12-9-23(20,21)10-13(12)19-6-4-3-5-7-19/h11-13,16H,3-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine?
(3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine has a molecular weight of 342.47 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,1-dioxo-4-piperidin-1-yl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 95307526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).