2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol

C11H18N2O3S — CID 82002299

IUPAC2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol
SMILESCCN(CCO)c1cccc(S(C)(=O)=O)c1N
InChIInChI=1S/C11H18N2O3S/c1-3-13(7-8-14)9-5-4-6-10(11(9)12)17(2,15)16/h4-6,14H,3,7-8,12H2,1-2H3
InChIKeyARRXNTKLQRXIQQ-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.49
Rot. Bonds5

About 2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol

2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol (PubChem CID 82002299) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol
PubChem CID82002299
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol
SMILESCCN(CCO)c1cccc(S(C)(=O)=O)c1N
InChIInChI=1S/C11H18N2O3S/c1-3-13(7-8-14)9-5-4-6-10(11(9)12)17(2,15)16/h4-6,14H,3,7-8,12H2,1-2H3
InChIKeyARRXNTKLQRXIQQ-UHFFFAOYSA-N
XLogP0.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
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 2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol?
The IUPAC name of 2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol (CID 82002299) is 2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol.
What is the SMILES notation for 2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol?
The canonical SMILES for 2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol is CCN(CCO)c1cccc(S(C)(=O)=O)c1N.
What is the InChIKey of 2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol?
The InChIKey is ARRXNTKLQRXIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-13(7-8-14)9-5-4-6-10(11(9)12)17(2,15)16/h4-6,14H,3,7-8,12H2,1-2H3.
What are the key properties of 2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol?
2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol has a molecular weight of 258.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol is sourced from PubChem (CID 82002299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).