2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride

C7H18ClNO2S — CID 170914009

IUPAC2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride
SMILESCCC(CC)(CN)S(C)(=O)=O.Cl
InChIInChI=1S/C7H17NO2S.ClH/c1-4-7(5-2,6-8)11(3,9)10;/h4-6,8H2,1-3H3;1H
InChIKeyQOGUIUYWZZPURC-UHFFFAOYSA-N
MW215.75 g/mol
LogP0.97
Rot. Bonds4

About 2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride

2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride (PubChem CID 170914009) has the molecular formula C7H18ClNO2S and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride
PubChem CID170914009
Molecular FormulaC7H18ClNO2S
Molecular Weight215.75 g/mol
Exact Mass215.07
IUPAC Name2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride
SMILESCCC(CC)(CN)S(C)(=O)=O.Cl
InChIInChI=1S/C7H17NO2S.ClH/c1-4-7(5-2,6-8)11(3,9)10;/h4-6,8H2,1-3H3;1H
InChIKeyQOGUIUYWZZPURC-UHFFFAOYSA-N
XLogP0.97
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride?
The IUPAC name of 2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride (CID 170914009) is 2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride?
The canonical SMILES for 2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride is CCC(CC)(CN)S(C)(=O)=O.Cl.
What is the InChIKey of 2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride?
The InChIKey is QOGUIUYWZZPURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S.ClH/c1-4-7(5-2,6-8)11(3,9)10;/h4-6,8H2,1-3H3;1H.
What are the key properties of 2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride?
2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride has a molecular weight of 215.75 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylsulfonylbutan-1-amine;hydrochloride is sourced from PubChem (CID 170914009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).