ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide

C16H21NO2S — CID 142355386

IUPACethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide
SMILESCC.CC1CC(c2ccnc3ccccc23)CS1(=O)=O
InChIInChI=1S/C14H15NO2S.C2H6/c1-10-8-11(9-18(10,16)17)12-6-7-15-14-5-3-2-4-13(12)14;1-2/h2-7,10-11H,8-9H2,1H3;1-2H3
InChIKeyRXBCXECYQBEMIG-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.55
Rot. Bonds1

About ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide

ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide (PubChem CID 142355386) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Nameethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide
PubChem CID142355386
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Nameethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide
SMILESCC.CC1CC(c2ccnc3ccccc23)CS1(=O)=O
InChIInChI=1S/C14H15NO2S.C2H6/c1-10-8-11(9-18(10,16)17)12-6-7-15-14-5-3-2-4-13(12)14;1-2/h2-7,10-11H,8-9H2,1H3;1-2H3
InChIKeyRXBCXECYQBEMIG-UHFFFAOYSA-N
XLogP3.55
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide?
The IUPAC name of ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide (CID 142355386) is ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide.
What is the SMILES notation for ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide?
The canonical SMILES for ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide is CC.CC1CC(c2ccnc3ccccc23)CS1(=O)=O.
What is the InChIKey of ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide?
The InChIKey is RXBCXECYQBEMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S.C2H6/c1-10-8-11(9-18(10,16)17)12-6-7-15-14-5-3-2-4-13(12)14;1-2/h2-7,10-11H,8-9H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide?
ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide has a molecular weight of 291.42 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide is sourced from PubChem (CID 142355386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).