2-(1-ethylsulfonylcyclopropyl)acetic acid

C7H12O4S — CID 115019032

IUPAC2-(1-ethylsulfonylcyclopropyl)acetic acid
SMILESCCS(=O)(=O)C1(CC(=O)O)CC1
InChIInChI=1S/C7H12O4S/c1-2-12(10,11)7(3-4-7)5-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKeyHIUHNIVPQHPMBZ-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.43
Rot. Bonds4

About 2-(1-ethylsulfonylcyclopropyl)acetic acid

2-(1-ethylsulfonylcyclopropyl)acetic acid (PubChem CID 115019032) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(1-ethylsulfonylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(1-ethylsulfonylcyclopropyl)acetic acid
PubChem CID115019032
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name2-(1-ethylsulfonylcyclopropyl)acetic acid
SMILESCCS(=O)(=O)C1(CC(=O)O)CC1
InChIInChI=1S/C7H12O4S/c1-2-12(10,11)7(3-4-7)5-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKeyHIUHNIVPQHPMBZ-UHFFFAOYSA-N
XLogP0.43
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylsulfonylpiperidin-4-yl)acetic acid
CID 84686759
2-(1-methylsulfonyloxycyclopropyl)acetic acid
CID 11816387
2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid
CID 82927078
2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443307
2-[(2S)-2-methylthiolan-2-yl]acetic acid
CID 129363672
2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid
CID 114806665
2-[1-(4-methylsulfonyloxyphenyl)cyclopropyl]acetic acid
CID 117428980
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
2-(4-methylsulfanyloxan-4-yl)acetic acid
CID 84662783
2-(1-dodecylcyclopropyl)acetic acid
CID 21495392
2-(1-butan-2-ylcyclopentyl)acetic acid
CID 83817372
2-(3-ethoxyoxolan-3-yl)acetic acid
CID 105435742

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylcyclopropyl)acetic acid?
The IUPAC name of 2-(1-ethylsulfonylcyclopropyl)acetic acid (CID 115019032) is 2-(1-ethylsulfonylcyclopropyl)acetic acid.
What is the SMILES notation for 2-(1-ethylsulfonylcyclopropyl)acetic acid?
The canonical SMILES for 2-(1-ethylsulfonylcyclopropyl)acetic acid is CCS(=O)(=O)C1(CC(=O)O)CC1.
What is the InChIKey of 2-(1-ethylsulfonylcyclopropyl)acetic acid?
The InChIKey is HIUHNIVPQHPMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S/c1-2-12(10,11)7(3-4-7)5-6(8)9/h2-5H2,1H3,(H,8,9).
What are the key properties of 2-(1-ethylsulfonylcyclopropyl)acetic acid?
2-(1-ethylsulfonylcyclopropyl)acetic acid has a molecular weight of 192.24 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylcyclopropyl)acetic acid is sourced from PubChem (CID 115019032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).