(2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate

C14H18N2O6S — CID 42923596

IUPAC(2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OC1CCOC1=O
InChIInChI=1S/C14H18N2O6S/c1-15-9-10(23(19,20)16-5-2-3-6-16)8-11(15)13(17)22-12-4-7-21-14(12)18/h8-9,12H,2-7H2,1H3
InChIKeyWZMVOFLJDLXXOT-UHFFFAOYSA-N
MW342.37 g/mol
LogP0.28
Rot. Bonds4

About (2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate

(2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate (PubChem CID 42923596) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
PubChem CID42923596
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name(2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OC1CCOC1=O
InChIInChI=1S/C14H18N2O6S/c1-15-9-10(23(19,20)16-5-2-3-6-16)8-11(15)13(17)22-12-4-7-21-14(12)18/h8-9,12H,2-7H2,1H3
InChIKeyWZMVOFLJDLXXOT-UHFFFAOYSA-N
XLogP0.28
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-2-oxooxolan-3-yl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 2509169
(2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 4794362
[(3S)-2-oxooxolan-3-yl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2120682
(2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 24687203
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 18102862
[(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 7891737
1-methyl-4-(4-methylazepan-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 63623741
N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55560394
[(3R)-2-oxooxolan-3-yl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 9115979
4-(4-cyclopropylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 60951652
3-(2-oxooxolan-3-yl)oxycarbonylbenzenesulfonic acid
CID 90246272
[(3S)-2-oxooxolan-3-yl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 7229435

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate (CID 42923596) is (2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate?
The InChIKey is WZMVOFLJDLXXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-15-9-10(23(19,20)16-5-2-3-6-16)8-11(15)13(17)22-12-4-7-21-14(12)18/h8-9,12H,2-7H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate?
(2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate has a molecular weight of 342.37 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate is sourced from PubChem (CID 42923596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).