methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate

C10H19NO5S — CID 79547052

IUPACmethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCCC1CC(C)O
InChIInChI=1S/C10H19NO5S/c1-8(12)6-9-4-3-5-11(9)17(14,15)7-10(13)16-2/h8-9,12H,3-7H2,1-2H3
InChIKeyFESCQDOBNIVXMO-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.28
Rot. Bonds5

About methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate

methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate (PubChem CID 79547052) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate
PubChem CID79547052
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Namemethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCCC1CC(C)O
InChIInChI=1S/C10H19NO5S/c1-8(12)6-9-4-3-5-11(9)17(14,15)7-10(13)16-2/h8-9,12H,3-7H2,1-2H3
InChIKeyFESCQDOBNIVXMO-UHFFFAOYSA-N
XLogP-0.28
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate?
The IUPAC name of methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate (CID 79547052) is methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate is COC(=O)CS(=O)(=O)N1CCCC1CC(C)O.
What is the InChIKey of methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate?
The InChIKey is FESCQDOBNIVXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-8(12)6-9-4-3-5-11(9)17(14,15)7-10(13)16-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate?
methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate has a molecular weight of 265.33 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate is sourced from PubChem (CID 79547052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).