morpholin-4-yl 4-aminobenzenesulfinate

C10H14N2O3S — CID 143384955

IUPACmorpholin-4-yl 4-aminobenzenesulfinate
SMILESNc1ccc(S(=O)ON2CCOCC2)cc1
InChIInChI=1S/C10H14N2O3S/c11-9-1-3-10(4-2-9)16(13)15-12-5-7-14-8-6-12/h1-4H,5-8,11H2
InChIKeyQRBMIKARFOBKJQ-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.56
Rot. Bonds3

About morpholin-4-yl 4-aminobenzenesulfinate

morpholin-4-yl 4-aminobenzenesulfinate (PubChem CID 143384955) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is morpholin-4-yl 4-aminobenzenesulfinate.

Molecular Properties

Compound Namemorpholin-4-yl 4-aminobenzenesulfinate
PubChem CID143384955
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemorpholin-4-yl 4-aminobenzenesulfinate
SMILESNc1ccc(S(=O)ON2CCOCC2)cc1
InChIInChI=1S/C10H14N2O3S/c11-9-1-3-10(4-2-9)16(13)15-12-5-7-14-8-6-12/h1-4H,5-8,11H2
InChIKeyQRBMIKARFOBKJQ-UHFFFAOYSA-N
XLogP0.56
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl 4-aminobenzenesulfinate?
The IUPAC name of morpholin-4-yl 4-aminobenzenesulfinate (CID 143384955) is morpholin-4-yl 4-aminobenzenesulfinate.
What is the SMILES notation for morpholin-4-yl 4-aminobenzenesulfinate?
The canonical SMILES for morpholin-4-yl 4-aminobenzenesulfinate is Nc1ccc(S(=O)ON2CCOCC2)cc1.
What is the InChIKey of morpholin-4-yl 4-aminobenzenesulfinate?
The InChIKey is QRBMIKARFOBKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-9-1-3-10(4-2-9)16(13)15-12-5-7-14-8-6-12/h1-4H,5-8,11H2.
What are the key properties of morpholin-4-yl 4-aminobenzenesulfinate?
morpholin-4-yl 4-aminobenzenesulfinate has a molecular weight of 242.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl 4-aminobenzenesulfinate is sourced from PubChem (CID 143384955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).