4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol

C14H16NOS+ — CID 163738323

IUPAC4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol
SMILESOc1ccc([S+]2CCNCC2)c2ccccc12
InChIInChI=1S/C14H15NOS/c16-13-5-6-14(17-9-7-15-8-10-17)12-4-2-1-3-11(12)13/h1-6,15H,7-10H2/p+1
InChIKeyLFPAWSYWWGQBBJ-UHFFFAOYSA-O
MW246.36 g/mol
LogP2.13
Rot. Bonds1

About 4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol

4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol (PubChem CID 163738323) has the molecular formula C14H16NOS+ and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol.

Molecular Properties

Compound Name4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol
PubChem CID163738323
Molecular FormulaC14H16NOS+
Molecular Weight246.36 g/mol
Exact Mass246.09
IUPAC Name4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol
SMILESOc1ccc([S+]2CCNCC2)c2ccccc12
InChIInChI=1S/C14H15NOS/c16-13-5-6-14(17-9-7-15-8-10-17)12-4-2-1-3-11(12)13/h1-6,15H,7-10H2/p+1
InChIKeyLFPAWSYWWGQBBJ-UHFFFAOYSA-O
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol?
The IUPAC name of 4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol (CID 163738323) is 4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol.
What is the SMILES notation for 4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol?
The canonical SMILES for 4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol is Oc1ccc([S+]2CCNCC2)c2ccccc12.
What is the InChIKey of 4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol?
The InChIKey is LFPAWSYWWGQBBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15NOS/c16-13-5-6-14(17-9-7-15-8-10-17)12-4-2-1-3-11(12)13/h1-6,15H,7-10H2/p+1.
What are the key properties of 4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol?
4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol has a molecular weight of 246.36 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiomorpholin-1-ium-1-ylnaphthalen-1-ol is sourced from PubChem (CID 163738323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).