CID 59324965

C10H18NO2S — CID 59324965

IUPAC—
SMILESCSCC[CH]CC(=O)N1CCOCC1
InChIInChI=1S/C10H18NO2S/c1-14-9-3-2-4-10(12)11-5-7-13-8-6-11/h2H,3-9H2,1H3
InChIKeyVIUBLJFWQYOJDB-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.19
Rot. Bonds5

About CID 59324965

CID 59324965 (PubChem CID 59324965) has the molecular formula C10H18NO2S and a molecular weight of 216.33 g/mol.

Molecular Properties

Compound NameCID 59324965
PubChem CID59324965
Molecular FormulaC10H18NO2S
Molecular Weight216.33 g/mol
Exact Mass216.11
IUPAC Name—
SMILESCSCC[CH]CC(=O)N1CCOCC1
InChIInChI=1S/C10H18NO2S/c1-14-9-3-2-4-10(12)11-5-7-13-8-6-11/h2H,3-9H2,1H3
InChIKeyVIUBLJFWQYOJDB-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59324965?
The IUPAC name of CID 59324965 (CID 59324965) is not available.
What is the SMILES notation for CID 59324965?
The canonical SMILES for CID 59324965 is CSCC[CH]CC(=O)N1CCOCC1.
What is the InChIKey of CID 59324965?
The InChIKey is VIUBLJFWQYOJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO2S/c1-14-9-3-2-4-10(12)11-5-7-13-8-6-11/h2H,3-9H2,1H3.
What are the key properties of CID 59324965?
CID 59324965 has a molecular weight of 216.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59324965 is sourced from PubChem (CID 59324965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).