methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate

C11H19NO4S — CID 115279161

IUPACmethyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO4S/c1-16-11(13)10-4-2-3-6-12(10)9-5-7-17(14,15)8-9/h9-10H,2-8H2,1H3
InChIKeyRTEWHFGFGZPINN-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.20
Rot. Bonds2

About methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate

methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate (PubChem CID 115279161) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
PubChem CID115279161
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Namemethyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO4S/c1-16-11(13)10-4-2-3-6-12(10)9-5-7-17(14,15)8-9/h9-10H,2-8H2,1H3
InChIKeyRTEWHFGFGZPINN-UHFFFAOYSA-N
XLogP0.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
methyl 1-(1,1-dioxothietan-3-yl)azetidine-2-carboxylate
CID 127014959
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410317
methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
CID 115537940
methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate
CID 113330914
methyl (2R)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylate
CID 79836478
[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol
CID 62021749
methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
CID 115537818
methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate
CID 146329427
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-4-carboxylate
CID 68891069
methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate
CID 170423315

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate (CID 115279161) is methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C1CCS(=O)(=O)C1.
What is the InChIKey of methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate?
The InChIKey is RTEWHFGFGZPINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-16-11(13)10-4-2-3-6-12(10)9-5-7-17(14,15)8-9/h9-10H,2-8H2,1H3.
What are the key properties of methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate?
methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115279161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).