2-tert-butylsulfonylethanamine;hydrochloride

C6H16ClNO2S — CID 54593087

IUPAC2-tert-butylsulfonylethanamine;hydrochloride
SMILESCC(C)(C)S(=O)(=O)CCN.Cl
InChIInChI=1S/C6H15NO2S.ClH/c1-6(2,3)10(8,9)5-4-7;/h4-5,7H2,1-3H3;1H
InChIKeyYHZAXXFGKJJFPO-UHFFFAOYSA-N
MW201.72 g/mol
LogP0.58
Rot. Bonds2

About 2-tert-butylsulfonylethanamine;hydrochloride

2-tert-butylsulfonylethanamine;hydrochloride (PubChem CID 54593087) has the molecular formula C6H16ClNO2S and a molecular weight of 201.72 g/mol. Its IUPAC name is 2-tert-butylsulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name2-tert-butylsulfonylethanamine;hydrochloride
PubChem CID54593087
Molecular FormulaC6H16ClNO2S
Molecular Weight201.72 g/mol
Exact Mass201.06
IUPAC Name2-tert-butylsulfonylethanamine;hydrochloride
SMILESCC(C)(C)S(=O)(=O)CCN.Cl
InChIInChI=1S/C6H15NO2S.ClH/c1-6(2,3)10(8,9)5-4-7;/h4-5,7H2,1-3H3;1H
InChIKeyYHZAXXFGKJJFPO-UHFFFAOYSA-N
XLogP0.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonylethanamine;hydrochloride?
The IUPAC name of 2-tert-butylsulfonylethanamine;hydrochloride (CID 54593087) is 2-tert-butylsulfonylethanamine;hydrochloride.
What is the SMILES notation for 2-tert-butylsulfonylethanamine;hydrochloride?
The canonical SMILES for 2-tert-butylsulfonylethanamine;hydrochloride is CC(C)(C)S(=O)(=O)CCN.Cl.
What is the InChIKey of 2-tert-butylsulfonylethanamine;hydrochloride?
The InChIKey is YHZAXXFGKJJFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S.ClH/c1-6(2,3)10(8,9)5-4-7;/h4-5,7H2,1-3H3;1H.
What are the key properties of 2-tert-butylsulfonylethanamine;hydrochloride?
2-tert-butylsulfonylethanamine;hydrochloride has a molecular weight of 201.72 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonylethanamine;hydrochloride is sourced from PubChem (CID 54593087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).