methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate

C14H23N3O3S — CID 97029950

IUPACmethyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
SMILESCCS[C@H](C)c1noc(CN2CCCC[C@@H]2C(=O)OC)n1
InChIInChI=1S/C14H23N3O3S/c1-4-21-10(2)13-15-12(20-16-13)9-17-8-6-5-7-11(17)14(18)19-3/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyIXSLUTHULRKFQW-GHMZBOCLSA-N
MW313.42 g/mol
LogP2.41
Rot. Bonds6

About methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate

methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate (PubChem CID 97029950) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
PubChem CID97029950
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Namemethyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
SMILESCCS[C@H](C)c1noc(CN2CCCC[C@@H]2C(=O)OC)n1
InChIInChI=1S/C14H23N3O3S/c1-4-21-10(2)13-15-12(20-16-13)9-17-8-6-5-7-11(17)14(18)19-3/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyIXSLUTHULRKFQW-GHMZBOCLSA-N
XLogP2.41
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate (CID 97029950) is methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate is CCS[C@H](C)c1noc(CN2CCCC[C@@H]2C(=O)OC)n1.
What is the InChIKey of methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate?
The InChIKey is IXSLUTHULRKFQW-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-21-10(2)13-15-12(20-16-13)9-17-8-6-5-7-11(17)14(18)19-3/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate?
methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate has a molecular weight of 313.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 97029950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).