2-cycloheptylsulfonylpropanoic acid

C10H18O4S — CID 82925993

IUPAC2-cycloheptylsulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C10H18O4S/c1-8(10(11)12)15(13,14)9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyRXKXHMVOORBMSC-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.60
Rot. Bonds3

About 2-cycloheptylsulfonylpropanoic acid

2-cycloheptylsulfonylpropanoic acid (PubChem CID 82925993) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-cycloheptylsulfonylpropanoic acid.

Molecular Properties

Compound Name2-cycloheptylsulfonylpropanoic acid
PubChem CID82925993
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name2-cycloheptylsulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C10H18O4S/c1-8(10(11)12)15(13,14)9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyRXKXHMVOORBMSC-UHFFFAOYSA-N
XLogP1.60
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylsulfonylpropanoic acid?
The IUPAC name of 2-cycloheptylsulfonylpropanoic acid (CID 82925993) is 2-cycloheptylsulfonylpropanoic acid.
What is the SMILES notation for 2-cycloheptylsulfonylpropanoic acid?
The canonical SMILES for 2-cycloheptylsulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)C1CCCCCC1.
What is the InChIKey of 2-cycloheptylsulfonylpropanoic acid?
The InChIKey is RXKXHMVOORBMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-8(10(11)12)15(13,14)9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-cycloheptylsulfonylpropanoic acid?
2-cycloheptylsulfonylpropanoic acid has a molecular weight of 234.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylsulfonylpropanoic acid is sourced from PubChem (CID 82925993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).