ethane;methane;3-methylsulfonyl-1H-indene

C17H32O2S — CID 160773183

IUPACethane;methane;3-methylsulfonyl-1H-indene
SMILESC.CC.CC.CC.CS(=O)(=O)C1=CCc2ccccc21
InChIInChI=1S/C10H10O2S.3C2H6.CH4/c1-13(11,12)10-7-6-8-4-2-3-5-9(8)10;3*1-2;/h2-5,7H,6H2,1H3;3*1-2H3;1H4
InChIKeyRZPATIQLYAQLIK-UHFFFAOYSA-N
MW300.51 g/mol
LogP5.34
Rot. Bonds1

About ethane;methane;3-methylsulfonyl-1H-indene

ethane;methane;3-methylsulfonyl-1H-indene (PubChem CID 160773183) has the molecular formula C17H32O2S and a molecular weight of 300.51 g/mol. Its IUPAC name is ethane;methane;3-methylsulfonyl-1H-indene.

Molecular Properties

Compound Nameethane;methane;3-methylsulfonyl-1H-indene
PubChem CID160773183
Molecular FormulaC17H32O2S
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nameethane;methane;3-methylsulfonyl-1H-indene
SMILESC.CC.CC.CC.CS(=O)(=O)C1=CCc2ccccc21
InChIInChI=1S/C10H10O2S.3C2H6.CH4/c1-13(11,12)10-7-6-8-4-2-3-5-9(8)10;3*1-2;/h2-5,7H,6H2,1H3;3*1-2H3;1H4
InChIKeyRZPATIQLYAQLIK-UHFFFAOYSA-N
XLogP5.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.51
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-methylsulfonyl-1H-indene?
The IUPAC name of ethane;methane;3-methylsulfonyl-1H-indene (CID 160773183) is ethane;methane;3-methylsulfonyl-1H-indene.
What is the SMILES notation for ethane;methane;3-methylsulfonyl-1H-indene?
The canonical SMILES for ethane;methane;3-methylsulfonyl-1H-indene is C.CC.CC.CC.CS(=O)(=O)C1=CCc2ccccc21.
What is the InChIKey of ethane;methane;3-methylsulfonyl-1H-indene?
The InChIKey is RZPATIQLYAQLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S.3C2H6.CH4/c1-13(11,12)10-7-6-8-4-2-3-5-9(8)10;3*1-2;/h2-5,7H,6H2,1H3;3*1-2H3;1H4.
What are the key properties of ethane;methane;3-methylsulfonyl-1H-indene?
ethane;methane;3-methylsulfonyl-1H-indene has a molecular weight of 300.51 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-methylsulfonyl-1H-indene is sourced from PubChem (CID 160773183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).