2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid

C10H18O4S — CID 65443307

IUPAC2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid
SMILESCCCCS(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C10H18O4S/c1-2-3-6-15(13,14)8-10(4-5-10)7-9(11)12/h2-8H2,1H3,(H,11,12)
InChIKeyPRYMOTMWOCOBSY-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.46
Rot. Bonds7

About 2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid

2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid (PubChem CID 65443307) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid
PubChem CID65443307
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid
SMILESCCCCS(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C10H18O4S/c1-2-3-6-15(13,14)8-10(4-5-10)7-9(11)12/h2-8H2,1H3,(H,11,12)
InChIKeyPRYMOTMWOCOBSY-UHFFFAOYSA-N
XLogP1.46
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443321
2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid
CID 82927078
2-[1-(cyanomethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65442523
2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine
CID 65492431
2-[1-[2-(3-methylbutoxy)ethylsulfonylmethyl]cyclopropyl]acetic acid
CID 65444116
methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
CID 107776725
2-(1-dodecylcyclopropyl)acetic acid
CID 21495392
2-[1-[[1-(butylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid
CID 65441737
2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65441743
1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane
CID 65001157
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate
CID 107776601

Frequently Asked Questions

What is the IUPAC name of 2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid (CID 65443307) is 2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid is CCCCS(=O)(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid?
The InChIKey is PRYMOTMWOCOBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-2-3-6-15(13,14)8-10(4-5-10)7-9(11)12/h2-8H2,1H3,(H,11,12).
What are the key properties of 2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid?
2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid has a molecular weight of 234.32 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65443307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).