methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate

C11H19NO5S — CID 60665884

IUPACmethyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CS(=O)(=O)CC2O)CC1
InChIInChI=1S/C11H19NO5S/c1-17-11(14)8-2-4-12(5-3-8)9-6-18(15,16)7-10(9)13/h8-10,13H,2-7H2,1H3
InChIKeyQAPFPXNFQYIKLH-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.97
Rot. Bonds2

About methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate

methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate (PubChem CID 60665884) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate
PubChem CID60665884
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Namemethyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CS(=O)(=O)CC2O)CC1
InChIInChI=1S/C11H19NO5S/c1-17-11(14)8-2-4-12(5-3-8)9-6-18(15,16)7-10(9)13/h8-10,13H,2-7H2,1H3
InChIKeyQAPFPXNFQYIKLH-UHFFFAOYSA-N
XLogP-0.97
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate (CID 60665884) is methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate is COC(=O)C1CCN(C2CS(=O)(=O)CC2O)CC1.
What is the InChIKey of methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate?
The InChIKey is QAPFPXNFQYIKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-17-11(14)8-2-4-12(5-3-8)9-6-18(15,16)7-10(9)13/h8-10,13H,2-7H2,1H3.
What are the key properties of methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate?
methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate has a molecular weight of 277.34 g/mol, XLogP of -0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxylate is sourced from PubChem (CID 60665884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).