2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid

C10H16O5S — CID 107746531

IUPAC2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid
SMILESCC1OCCC1S(=O)(=O)C(C(=O)O)C1CC1
InChIInChI=1S/C10H16O5S/c1-6-8(4-5-15-6)16(13,14)9(10(11)12)7-2-3-7/h6-9H,2-5H2,1H3,(H,11,12)
InChIKeyJXGZALZQMHJSQY-UHFFFAOYSA-N
MW248.30 g/mol
LogP0.44
Rot. Bonds4

About 2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid

2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid (PubChem CID 107746531) has the molecular formula C10H16O5S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid
PubChem CID107746531
Molecular FormulaC10H16O5S
Molecular Weight248.30 g/mol
Exact Mass248.07
IUPAC Name2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid
SMILESCC1OCCC1S(=O)(=O)C(C(=O)O)C1CC1
InChIInChI=1S/C10H16O5S/c1-6-8(4-5-15-6)16(13,14)9(10(11)12)7-2-3-7/h6-9H,2-5H2,1H3,(H,11,12)
InChIKeyJXGZALZQMHJSQY-UHFFFAOYSA-N
XLogP0.44
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyloxolan-3-yl)sulfonylpentan-2-one
CID 107764075
4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine
CID 107758142
N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine
CID 107758086
2-methyloxolane-3-sulfonyl fluoride
CID 165460627
(2R,3S)-2-methyloxolane-3-sulfonyl chloride
CID 98113530
1-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758059
2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
CID 107756995
5-(2-methyloxolan-3-yl)sulfonylpentanoic acid
CID 107746515
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine
CID 107766551
3-ethenylsulfonyl-2-methyloxolane
CID 107746971
6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 122104491

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid?
The IUPAC name of 2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid (CID 107746531) is 2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid is CC1OCCC1S(=O)(=O)C(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid?
The InChIKey is JXGZALZQMHJSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5S/c1-6-8(4-5-15-6)16(13,14)9(10(11)12)7-2-3-7/h6-9H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid?
2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid has a molecular weight of 248.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylacetic acid is sourced from PubChem (CID 107746531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).