CID 11825329

C16H16NOS — CID 11825329

IUPAC—
SMILESCC1(C)COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1
InChIInChI=1S/C16H16NOS/c1-16(2)11-18-15(17-16)13-9-6-10-14(13)19-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyGDIIJRFVIDCEGR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.72
Rot. Bonds3

About CID 11825329

CID 11825329 (PubChem CID 11825329) has the molecular formula C16H16NOS and a molecular weight of 270.38 g/mol.

Molecular Properties

Compound NameCID 11825329
PubChem CID11825329
Molecular FormulaC16H16NOS
Molecular Weight270.38 g/mol
Exact Mass270.10
IUPAC Name—
SMILESCC1(C)COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1
InChIInChI=1S/C16H16NOS/c1-16(2)11-18-15(17-16)13-9-6-10-14(13)19-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyGDIIJRFVIDCEGR-UHFFFAOYSA-N
XLogP3.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 11825329?
The IUPAC name of CID 11825329 (CID 11825329) is not available.
What is the SMILES notation for CID 11825329?
The canonical SMILES for CID 11825329 is CC1(C)COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1.
What is the InChIKey of CID 11825329?
The InChIKey is GDIIJRFVIDCEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NOS/c1-16(2)11-18-15(17-16)13-9-6-10-14(13)19-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3.
What are the key properties of CID 11825329?
CID 11825329 has a molecular weight of 270.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11825329 is sourced from PubChem (CID 11825329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).