2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride

C6H16ClNO3S — CID 86645512

IUPAC2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride
SMILESCC(C)(N)CS(=O)(=O)CCO.Cl
InChIInChI=1S/C6H15NO3S.ClH/c1-6(2,7)5-11(9,10)4-3-8;/h8H,3-5,7H2,1-2H3;1H
InChIKeyYPTZWTFIRQNTOP-UHFFFAOYSA-N
MW217.72 g/mol
LogP-0.45
Rot. Bonds4

About 2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride

2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride (PubChem CID 86645512) has the molecular formula C6H16ClNO3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride
PubChem CID86645512
Molecular FormulaC6H16ClNO3S
Molecular Weight217.72 g/mol
Exact Mass217.05
IUPAC Name2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride
SMILESCC(C)(N)CS(=O)(=O)CCO.Cl
InChIInChI=1S/C6H15NO3S.ClH/c1-6(2,7)5-11(9,10)4-3-8;/h8H,3-5,7H2,1-2H3;1H
InChIKeyYPTZWTFIRQNTOP-UHFFFAOYSA-N
XLogP-0.45
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride (CID 86645512) is 2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride is CC(C)(N)CS(=O)(=O)CCO.Cl.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride?
The InChIKey is YPTZWTFIRQNTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S.ClH/c1-6(2,7)5-11(9,10)4-3-8;/h8H,3-5,7H2,1-2H3;1H.
What are the key properties of 2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride?
2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride has a molecular weight of 217.72 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride is sourced from PubChem (CID 86645512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).