6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid

C11H18N2O4S — CID 43447380

IUPAC6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCC(=O)NC(=O)N1CCSCC1
InChIInChI=1S/C11H18N2O4S/c14-9(3-1-2-4-10(15)16)12-11(17)13-5-7-18-8-6-13/h1-8H2,(H,15,16)(H,12,14,17)
InChIKeyGIHSMDOPOFZGJV-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.92
Rot. Bonds5

About 6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid

6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid (PubChem CID 43447380) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid
PubChem CID43447380
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCC(=O)NC(=O)N1CCSCC1
InChIInChI=1S/C11H18N2O4S/c14-9(3-1-2-4-10(15)16)12-11(17)13-5-7-18-8-6-13/h1-8H2,(H,15,16)(H,12,14,17)
InChIKeyGIHSMDOPOFZGJV-UHFFFAOYSA-N
XLogP0.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid?
The IUPAC name of 6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid (CID 43447380) is 6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid.
What is the SMILES notation for 6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid?
The canonical SMILES for 6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid is O=C(O)CCCCC(=O)NC(=O)N1CCSCC1.
What is the InChIKey of 6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid?
The InChIKey is GIHSMDOPOFZGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c14-9(3-1-2-4-10(15)16)12-11(17)13-5-7-18-8-6-13/h1-8H2,(H,15,16)(H,12,14,17).
What are the key properties of 6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid?
6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid has a molecular weight of 274.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid is sourced from PubChem (CID 43447380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).