CID 134958319

C16H24NO2S — CID 134958319

IUPAC—
SMILESCC[C@@H]([CH]N1CCC[C@H]1C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24NO2S/c1-3-15(12-17-11-7-8-14(17)2)13-20(18,19)16-9-5-4-6-10-16/h4-6,9-10,12,14-15H,3,7-8,11,13H2,1-2H3/t14-,15+/m1/s1
InChIKeyJXYMOZDAVXVVGJ-CABCVRRESA-N
MW294.44 g/mol
LogP3.13
Rot. Bonds6

About CID 134958319

CID 134958319 (PubChem CID 134958319) has the molecular formula C16H24NO2S and a molecular weight of 294.44 g/mol.

Molecular Properties

Compound NameCID 134958319
PubChem CID134958319
Molecular FormulaC16H24NO2S
Molecular Weight294.44 g/mol
Exact Mass294.15
IUPAC Name—
SMILESCC[C@@H]([CH]N1CCC[C@H]1C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24NO2S/c1-3-15(12-17-11-7-8-14(17)2)13-20(18,19)16-9-5-4-6-10-16/h4-6,9-10,12,14-15H,3,7-8,11,13H2,1-2H3/t14-,15+/m1/s1
InChIKeyJXYMOZDAVXVVGJ-CABCVRRESA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 134958319?
The IUPAC name of CID 134958319 (CID 134958319) is not available.
What is the SMILES notation for CID 134958319?
The canonical SMILES for CID 134958319 is CC[C@@H]([CH]N1CCC[C@H]1C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of CID 134958319?
The InChIKey is JXYMOZDAVXVVGJ-CABCVRRESA-N. The full InChI is InChI=1S/C16H24NO2S/c1-3-15(12-17-11-7-8-14(17)2)13-20(18,19)16-9-5-4-6-10-16/h4-6,9-10,12,14-15H,3,7-8,11,13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of CID 134958319?
CID 134958319 has a molecular weight of 294.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134958319 is sourced from PubChem (CID 134958319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).