4-(2-phenylethynylsulfonyl)morpholine

C12H13NO3S — CID 10354788

IUPAC4-(2-phenylethynylsulfonyl)morpholine
SMILESO=S(=O)(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H13NO3S/c14-17(15,13-7-9-16-10-8-13)11-6-12-4-2-1-3-5-12/h1-5H,7-10H2
InChIKeyIFKMRZXTNDAEPA-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.66
Rot. Bonds1

About 4-(2-phenylethynylsulfonyl)morpholine

4-(2-phenylethynylsulfonyl)morpholine (PubChem CID 10354788) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-(2-phenylethynylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(2-phenylethynylsulfonyl)morpholine
PubChem CID10354788
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name4-(2-phenylethynylsulfonyl)morpholine
SMILESO=S(=O)(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H13NO3S/c14-17(15,13-7-9-16-10-8-13)11-6-12-4-2-1-3-5-12/h1-5H,7-10H2
InChIKeyIFKMRZXTNDAEPA-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethynylsulfonyl)morpholine?
The IUPAC name of 4-(2-phenylethynylsulfonyl)morpholine (CID 10354788) is 4-(2-phenylethynylsulfonyl)morpholine.
What is the SMILES notation for 4-(2-phenylethynylsulfonyl)morpholine?
The canonical SMILES for 4-(2-phenylethynylsulfonyl)morpholine is O=S(=O)(C#Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 4-(2-phenylethynylsulfonyl)morpholine?
The InChIKey is IFKMRZXTNDAEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c14-17(15,13-7-9-16-10-8-13)11-6-12-4-2-1-3-5-12/h1-5H,7-10H2.
What are the key properties of 4-(2-phenylethynylsulfonyl)morpholine?
4-(2-phenylethynylsulfonyl)morpholine has a molecular weight of 251.31 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethynylsulfonyl)morpholine is sourced from PubChem (CID 10354788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).