2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol

C11H18N2O4S — CID 69344978

IUPAC2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol
SMILESCS(=O)(=O)c1cc(N(CCO)CCO)ccc1N
InChIInChI=1S/C11H18N2O4S/c1-18(16,17)11-8-9(2-3-10(11)12)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7,12H2,1H3
InChIKeyCWAIVOVSXMQISD-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.54
Rot. Bonds6

About 2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol

2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol (PubChem CID 69344978) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol
PubChem CID69344978
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol
SMILESCS(=O)(=O)c1cc(N(CCO)CCO)ccc1N
InChIInChI=1S/C11H18N2O4S/c1-18(16,17)11-8-9(2-3-10(11)12)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7,12H2,1H3
InChIKeyCWAIVOVSXMQISD-UHFFFAOYSA-N
XLogP-0.54
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol (CID 69344978) is 2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol is CS(=O)(=O)c1cc(N(CCO)CCO)ccc1N.
What is the InChIKey of 2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol?
The InChIKey is CWAIVOVSXMQISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-18(16,17)11-8-9(2-3-10(11)12)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7,12H2,1H3.
What are the key properties of 2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol?
2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol has a molecular weight of 274.34 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol is sourced from PubChem (CID 69344978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).