CID 11090857

C16H18NO2S — CID 11090857

IUPAC—
SMILESCC(C)(CO)NC(=O)[C]1[CH][CH][CH][C]1Sc1ccccc1
InChIInChI=1S/C16H18NO2S/c1-16(2,11-18)17-15(19)13-9-6-10-14(13)20-12-7-4-3-5-8-12/h3-10,18H,11H2,1-2H3,(H,17,19)
InChIKeyFAXZMXPCQHEIDJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.40
Rot. Bonds5

About CID 11090857

CID 11090857 (PubChem CID 11090857) has the molecular formula C16H18NO2S and a molecular weight of 288.39 g/mol.

Molecular Properties

Compound NameCID 11090857
PubChem CID11090857
Molecular FormulaC16H18NO2S
Molecular Weight288.39 g/mol
Exact Mass288.11
IUPAC Name—
SMILESCC(C)(CO)NC(=O)[C]1[CH][CH][CH][C]1Sc1ccccc1
InChIInChI=1S/C16H18NO2S/c1-16(2,11-18)17-15(19)13-9-6-10-14(13)20-12-7-4-3-5-8-12/h3-10,18H,11H2,1-2H3,(H,17,19)
InChIKeyFAXZMXPCQHEIDJ-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 11090857?
The IUPAC name of CID 11090857 (CID 11090857) is not available.
What is the SMILES notation for CID 11090857?
The canonical SMILES for CID 11090857 is CC(C)(CO)NC(=O)[C]1[CH][CH][CH][C]1Sc1ccccc1.
What is the InChIKey of CID 11090857?
The InChIKey is FAXZMXPCQHEIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO2S/c1-16(2,11-18)17-15(19)13-9-6-10-14(13)20-12-7-4-3-5-8-12/h3-10,18H,11H2,1-2H3,(H,17,19).
What are the key properties of CID 11090857?
CID 11090857 has a molecular weight of 288.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11090857 is sourced from PubChem (CID 11090857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).