2-tert-butylsulfonylethanamine

C6H15NO2S — CID 43444511

IUPAC2-tert-butylsulfonylethanamine
SMILESCC(C)(C)S(=O)(=O)CCN
InChIInChI=1S/C6H15NO2S/c1-6(2,3)10(8,9)5-4-7/h4-5,7H2,1-3H3
InChIKeySGVFERHFXXLUCB-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.16
Rot. Bonds2

About 2-tert-butylsulfonylethanamine

2-tert-butylsulfonylethanamine (PubChem CID 43444511) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-tert-butylsulfonylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfonylethanamine
PubChem CID43444511
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name2-tert-butylsulfonylethanamine
SMILESCC(C)(C)S(=O)(=O)CCN
InChIInChI=1S/C6H15NO2S/c1-6(2,3)10(8,9)5-4-7/h4-5,7H2,1-3H3
InChIKeySGVFERHFXXLUCB-UHFFFAOYSA-N
XLogP0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonylethanamine?
The IUPAC name of 2-tert-butylsulfonylethanamine (CID 43444511) is 2-tert-butylsulfonylethanamine.
What is the SMILES notation for 2-tert-butylsulfonylethanamine?
The canonical SMILES for 2-tert-butylsulfonylethanamine is CC(C)(C)S(=O)(=O)CCN.
What is the InChIKey of 2-tert-butylsulfonylethanamine?
The InChIKey is SGVFERHFXXLUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-6(2,3)10(8,9)5-4-7/h4-5,7H2,1-3H3.
What are the key properties of 2-tert-butylsulfonylethanamine?
2-tert-butylsulfonylethanamine has a molecular weight of 165.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonylethanamine is sourced from PubChem (CID 43444511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).