1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid

C8H14O4S — CID 84674263

IUPAC1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid
SMILESCC(C)S(=O)(=O)CC1(C(=O)O)CC1
InChIInChI=1S/C8H14O4S/c1-6(2)13(11,12)5-8(3-4-8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyBEGROZVXWQPGBQ-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.67
Rot. Bonds4

About 1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid

1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid (PubChem CID 84674263) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid
PubChem CID84674263
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid
SMILESCC(C)S(=O)(=O)CC1(C(=O)O)CC1
InChIInChI=1S/C8H14O4S/c1-6(2)13(11,12)5-8(3-4-8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyBEGROZVXWQPGBQ-UHFFFAOYSA-N
XLogP0.67
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid (CID 84674263) is 1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid is CC(C)S(=O)(=O)CC1(C(=O)O)CC1.
What is the InChIKey of 1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid?
The InChIKey is BEGROZVXWQPGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-6(2)13(11,12)5-8(3-4-8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid?
1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid has a molecular weight of 206.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84674263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).