5-methylsulfonyl-2-propyl-1H-indene

C13H16O2S — CID 150047261

IUPAC5-methylsulfonyl-2-propyl-1H-indene
SMILESCCCC1=Cc2cc(S(C)(=O)=O)ccc2C1
InChIInChI=1S/C13H16O2S/c1-3-4-10-7-11-5-6-13(16(2,14)15)9-12(11)8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyDKNQZDYRHRKPJN-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.83
Rot. Bonds3

About 5-methylsulfonyl-2-propyl-1H-indene

5-methylsulfonyl-2-propyl-1H-indene (PubChem CID 150047261) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 5-methylsulfonyl-2-propyl-1H-indene.

Molecular Properties

Compound Name5-methylsulfonyl-2-propyl-1H-indene
PubChem CID150047261
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name5-methylsulfonyl-2-propyl-1H-indene
SMILESCCCC1=Cc2cc(S(C)(=O)=O)ccc2C1
InChIInChI=1S/C13H16O2S/c1-3-4-10-7-11-5-6-13(16(2,14)15)9-12(11)8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyDKNQZDYRHRKPJN-UHFFFAOYSA-N
XLogP2.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-propyl-1H-indene?
The IUPAC name of 5-methylsulfonyl-2-propyl-1H-indene (CID 150047261) is 5-methylsulfonyl-2-propyl-1H-indene.
What is the SMILES notation for 5-methylsulfonyl-2-propyl-1H-indene?
The canonical SMILES for 5-methylsulfonyl-2-propyl-1H-indene is CCCC1=Cc2cc(S(C)(=O)=O)ccc2C1.
What is the InChIKey of 5-methylsulfonyl-2-propyl-1H-indene?
The InChIKey is DKNQZDYRHRKPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c1-3-4-10-7-11-5-6-13(16(2,14)15)9-12(11)8-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 5-methylsulfonyl-2-propyl-1H-indene?
5-methylsulfonyl-2-propyl-1H-indene has a molecular weight of 236.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-propyl-1H-indene is sourced from PubChem (CID 150047261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).