9-thiomorpholin-4-ylnonan-4-ol

C13H27NOS — CID 123851277

IUPAC9-thiomorpholin-4-ylnonan-4-ol
SMILESCCCC(O)CCCCCN1CCSCC1
InChIInChI=1S/C13H27NOS/c1-2-6-13(15)7-4-3-5-8-14-9-11-16-12-10-14/h13,15H,2-12H2,1H3
InChIKeyGSTVMHNJLHLYNY-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.76
Rot. Bonds8

About 9-thiomorpholin-4-ylnonan-4-ol

9-thiomorpholin-4-ylnonan-4-ol (PubChem CID 123851277) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 9-thiomorpholin-4-ylnonan-4-ol.

Molecular Properties

Compound Name9-thiomorpholin-4-ylnonan-4-ol
PubChem CID123851277
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name9-thiomorpholin-4-ylnonan-4-ol
SMILESCCCC(O)CCCCCN1CCSCC1
InChIInChI=1S/C13H27NOS/c1-2-6-13(15)7-4-3-5-8-14-9-11-16-12-10-14/h13,15H,2-12H2,1H3
InChIKeyGSTVMHNJLHLYNY-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
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 9-thiomorpholin-4-ylnonan-4-ol?
The IUPAC name of 9-thiomorpholin-4-ylnonan-4-ol (CID 123851277) is 9-thiomorpholin-4-ylnonan-4-ol.
What is the SMILES notation for 9-thiomorpholin-4-ylnonan-4-ol?
The canonical SMILES for 9-thiomorpholin-4-ylnonan-4-ol is CCCC(O)CCCCCN1CCSCC1.
What is the InChIKey of 9-thiomorpholin-4-ylnonan-4-ol?
The InChIKey is GSTVMHNJLHLYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-2-6-13(15)7-4-3-5-8-14-9-11-16-12-10-14/h13,15H,2-12H2,1H3.
What are the key properties of 9-thiomorpholin-4-ylnonan-4-ol?
9-thiomorpholin-4-ylnonan-4-ol has a molecular weight of 245.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-thiomorpholin-4-ylnonan-4-ol is sourced from PubChem (CID 123851277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).