4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline

C13H20N2O3S — CID 6939042

IUPAC4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline
SMILESC[C@H](CS(=O)(=O)c1ccc(N)cc1)N1CCOCC1
InChIInChI=1S/C13H20N2O3S/c1-11(15-6-8-18-9-7-15)10-19(16,17)13-4-2-12(14)3-5-13/h2-5,11H,6-10,14H2,1H3/t11-/m1/s1
InChIKeyDMZXTLZMNAGWHI-LLVKDONJSA-N
MW284.38 g/mol
LogP0.76
Rot. Bonds4

About 4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline

4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline (PubChem CID 6939042) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline.

Molecular Properties

Compound Name4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline
PubChem CID6939042
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline
SMILESC[C@H](CS(=O)(=O)c1ccc(N)cc1)N1CCOCC1
InChIInChI=1S/C13H20N2O3S/c1-11(15-6-8-18-9-7-15)10-19(16,17)13-4-2-12(14)3-5-13/h2-5,11H,6-10,14H2,1H3/t11-/m1/s1
InChIKeyDMZXTLZMNAGWHI-LLVKDONJSA-N
XLogP0.76
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.76
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 4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline?
The IUPAC name of 4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline (CID 6939042) is 4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline.
What is the SMILES notation for 4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline?
The canonical SMILES for 4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline is C[C@H](CS(=O)(=O)c1ccc(N)cc1)N1CCOCC1.
What is the InChIKey of 4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline?
The InChIKey is DMZXTLZMNAGWHI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11(15-6-8-18-9-7-15)10-19(16,17)13-4-2-12(14)3-5-13/h2-5,11H,6-10,14H2,1H3/t11-/m1/s1.
What are the key properties of 4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline?
4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline has a molecular weight of 284.38 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline is sourced from PubChem (CID 6939042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).