2-propylsulfonylethanamine

C5H13NO2S — CID 22017896

IUPAC2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CCN
InChIInChI=1S/C5H13NO2S/c1-2-4-9(7,8)5-3-6/h2-6H2,1H3
InChIKeySLNWTVKJXGFGTE-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.23
Rot. Bonds4

About 2-propylsulfonylethanamine

2-propylsulfonylethanamine (PubChem CID 22017896) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-propylsulfonylethanamine.

Molecular Properties

Compound Name2-propylsulfonylethanamine
PubChem CID22017896
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CCN
InChIInChI=1S/C5H13NO2S/c1-2-4-9(7,8)5-3-6/h2-6H2,1H3
InChIKeySLNWTVKJXGFGTE-UHFFFAOYSA-N
XLogP-0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonylethanamine?
The IUPAC name of 2-propylsulfonylethanamine (CID 22017896) is 2-propylsulfonylethanamine.
What is the SMILES notation for 2-propylsulfonylethanamine?
The canonical SMILES for 2-propylsulfonylethanamine is CCCS(=O)(=O)CCN.
What is the InChIKey of 2-propylsulfonylethanamine?
The InChIKey is SLNWTVKJXGFGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-2-4-9(7,8)5-3-6/h2-6H2,1H3.
What are the key properties of 2-propylsulfonylethanamine?
2-propylsulfonylethanamine has a molecular weight of 151.23 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonylethanamine is sourced from PubChem (CID 22017896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).