methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate

C11H17NO5S — CID 43410317

IUPACmethyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO5S/c1-17-11(14)9-3-2-5-12(9)10(13)8-4-6-18(15,16)7-8/h8-9H,2-7H2,1H3
InChIKeyPIGAYEVJCGKSFK-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.41
Rot. Bonds2

About methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43410317) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43410317
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Namemethyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO5S/c1-17-11(14)9-3-2-5-12(9)10(13)8-4-6-18(15,16)7-8/h8-9H,2-7H2,1H3
InChIKeyPIGAYEVJCGKSFK-UHFFFAOYSA-N
XLogP-0.41
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355636
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 112531508
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 174918587
methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
CID 115279161
methyl 2-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-2-yl]acetate
CID 61010521
methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
CID 79165530
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
methyl (2R)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylate
CID 79836478
[(3R)-1,1-dioxothiolan-3-yl]-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129430499

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate (CID 43410317) is methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is PIGAYEVJCGKSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c1-17-11(14)9-3-2-5-12(9)10(13)8-4-6-18(15,16)7-8/h8-9H,2-7H2,1H3.
What are the key properties of methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 275.33 g/mol, XLogP of -0.41, 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-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).