2-(2-phenylpropyl)thiolane 1,1-dioxide

C13H18O2S — CID 70637114

IUPAC2-(2-phenylpropyl)thiolane 1,1-dioxide
SMILESCC(CC1CCCS1(=O)=O)c1ccccc1
InChIInChI=1S/C13H18O2S/c1-11(12-6-3-2-4-7-12)10-13-8-5-9-16(13,14)15/h2-4,6-7,11,13H,5,8-10H2,1H3
InChIKeyQUYRXFPDVNRGTL-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-phenylpropyl)thiolane 1,1-dioxide

2-(2-phenylpropyl)thiolane 1,1-dioxide (PubChem CID 70637114) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(2-phenylpropyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-phenylpropyl)thiolane 1,1-dioxide
PubChem CID70637114
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-(2-phenylpropyl)thiolane 1,1-dioxide
SMILESCC(CC1CCCS1(=O)=O)c1ccccc1
InChIInChI=1S/C13H18O2S/c1-11(12-6-3-2-4-7-12)10-13-8-5-9-16(13,14)15/h2-4,6-7,11,13H,5,8-10H2,1H3
InChIKeyQUYRXFPDVNRGTL-UHFFFAOYSA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropyl)thiolane 1,1-dioxide?
The IUPAC name of 2-(2-phenylpropyl)thiolane 1,1-dioxide (CID 70637114) is 2-(2-phenylpropyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(2-phenylpropyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(2-phenylpropyl)thiolane 1,1-dioxide is CC(CC1CCCS1(=O)=O)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropyl)thiolane 1,1-dioxide?
The InChIKey is QUYRXFPDVNRGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-11(12-6-3-2-4-7-12)10-13-8-5-9-16(13,14)15/h2-4,6-7,11,13H,5,8-10H2,1H3.
What are the key properties of 2-(2-phenylpropyl)thiolane 1,1-dioxide?
2-(2-phenylpropyl)thiolane 1,1-dioxide has a molecular weight of 238.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropyl)thiolane 1,1-dioxide is sourced from PubChem (CID 70637114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).