CID 59658493

C11H16OS — CID 59658493

IUPAC—
SMILES[CH]S(O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C11H16OS/c1-11(2,3)13(4,12)10-8-6-5-7-9-10/h4-9,12H,1-3H3
InChIKeyLJVIEXGTKMOSGR-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.79
Rot. Bonds1

About CID 59658493

CID 59658493 (PubChem CID 59658493) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol.

Molecular Properties

Compound NameCID 59658493
PubChem CID59658493
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name—
SMILES[CH]S(O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C11H16OS/c1-11(2,3)13(4,12)10-8-6-5-7-9-10/h4-9,12H,1-3H3
InChIKeyLJVIEXGTKMOSGR-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 59658493?
The IUPAC name of CID 59658493 (CID 59658493) is not available.
What is the SMILES notation for CID 59658493?
The canonical SMILES for CID 59658493 is [CH]S(O)(c1ccccc1)C(C)(C)C.
What is the InChIKey of CID 59658493?
The InChIKey is LJVIEXGTKMOSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-11(2,3)13(4,12)10-8-6-5-7-9-10/h4-9,12H,1-3H3.
What are the key properties of CID 59658493?
CID 59658493 has a molecular weight of 196.32 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59658493 is sourced from PubChem (CID 59658493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).