benzenesulfinic acid;morpholine

C10H15NO3S — CID 131853845

IUPACbenzenesulfinic acid;morpholine
SMILESC1COCCN1.O=S(O)c1ccccc1
InChIInChI=1S/C6H6O2S.C4H9NO/c7-9(8)6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5H,(H,7,8);5H,1-4H2
InChIKeyNJTHPUHKGYZESY-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.87
Rot. Bonds1

About benzenesulfinic acid;morpholine

benzenesulfinic acid;morpholine (PubChem CID 131853845) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is benzenesulfinic acid;morpholine.

Molecular Properties

Compound Namebenzenesulfinic acid;morpholine
PubChem CID131853845
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Namebenzenesulfinic acid;morpholine
SMILESC1COCCN1.O=S(O)c1ccccc1
InChIInChI=1S/C6H6O2S.C4H9NO/c7-9(8)6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5H,(H,7,8);5H,1-4H2
InChIKeyNJTHPUHKGYZESY-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzenesulfinic acid;morpholine?
The IUPAC name of benzenesulfinic acid;morpholine (CID 131853845) is benzenesulfinic acid;morpholine.
What is the SMILES notation for benzenesulfinic acid;morpholine?
The canonical SMILES for benzenesulfinic acid;morpholine is C1COCCN1.O=S(O)c1ccccc1.
What is the InChIKey of benzenesulfinic acid;morpholine?
The InChIKey is NJTHPUHKGYZESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S.C4H9NO/c7-9(8)6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5H,(H,7,8);5H,1-4H2.
What are the key properties of benzenesulfinic acid;morpholine?
benzenesulfinic acid;morpholine has a molecular weight of 229.30 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfinic acid;morpholine is sourced from PubChem (CID 131853845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).