2-cyclohexyl-2-phenylthiolane 1,1-dioxide

C16H22O2S — CID 141442231

IUPAC2-cyclohexyl-2-phenylthiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O2S/c17-19(18)13-7-12-16(19,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyYPDIDTJIOLUPQR-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.67
Rot. Bonds2

About 2-cyclohexyl-2-phenylthiolane 1,1-dioxide

2-cyclohexyl-2-phenylthiolane 1,1-dioxide (PubChem CID 141442231) has the molecular formula C16H22O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-cyclohexyl-2-phenylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2-cyclohexyl-2-phenylthiolane 1,1-dioxide
PubChem CID141442231
Molecular FormulaC16H22O2S
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name2-cyclohexyl-2-phenylthiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O2S/c17-19(18)13-7-12-16(19,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyYPDIDTJIOLUPQR-UHFFFAOYSA-N
XLogP3.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4a-phenyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-phenylthiolane 1,1-dioxide?
The IUPAC name of 2-cyclohexyl-2-phenylthiolane 1,1-dioxide (CID 141442231) is 2-cyclohexyl-2-phenylthiolane 1,1-dioxide.
What is the SMILES notation for 2-cyclohexyl-2-phenylthiolane 1,1-dioxide?
The canonical SMILES for 2-cyclohexyl-2-phenylthiolane 1,1-dioxide is O=S1(=O)CCCC1(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-phenylthiolane 1,1-dioxide?
The InChIKey is YPDIDTJIOLUPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S/c17-19(18)13-7-12-16(19,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15H,2,5-7,10-13H2.
What are the key properties of 2-cyclohexyl-2-phenylthiolane 1,1-dioxide?
2-cyclohexyl-2-phenylthiolane 1,1-dioxide has a molecular weight of 278.42 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-phenylthiolane 1,1-dioxide is sourced from PubChem (CID 141442231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).