(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine

C12H25NO2S — CID 97070215

IUPAC(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine
SMILESC[C@H](NCCS(=O)(=O)C(C)(C)C)C1CCC1
InChIInChI=1S/C12H25NO2S/c1-10(11-6-5-7-11)13-8-9-16(14,15)12(2,3)4/h10-11,13H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyVETUZZDBEOUKGH-JTQLQIEISA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds5

About (1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine

(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine (PubChem CID 97070215) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is (1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine.

Molecular Properties

Compound Name(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine
PubChem CID97070215
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine
SMILESC[C@H](NCCS(=O)(=O)C(C)(C)C)C1CCC1
InChIInChI=1S/C12H25NO2S/c1-10(11-6-5-7-11)13-8-9-16(14,15)12(2,3)4/h10-11,13H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyVETUZZDBEOUKGH-JTQLQIEISA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine?
The IUPAC name of (1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine (CID 97070215) is (1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine.
What is the SMILES notation for (1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine?
The canonical SMILES for (1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine is C[C@H](NCCS(=O)(=O)C(C)(C)C)C1CCC1.
What is the InChIKey of (1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine?
The InChIKey is VETUZZDBEOUKGH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(11-6-5-7-11)13-8-9-16(14,15)12(2,3)4/h10-11,13H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine?
(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine is sourced from PubChem (CID 97070215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).