2-prop-2-enylsulfonylethanamine

C5H11NO2S — CID 58685067

IUPAC2-prop-2-enylsulfonylethanamine
SMILESC=CCS(=O)(=O)CCN
InChIInChI=1S/C5H11NO2S/c1-2-4-9(7,8)5-3-6/h2H,1,3-6H2
InChIKeyMUYJHTAIMYCTET-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.45
Rot. Bonds4

About 2-prop-2-enylsulfonylethanamine

2-prop-2-enylsulfonylethanamine (PubChem CID 58685067) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-prop-2-enylsulfonylethanamine.

Molecular Properties

Compound Name2-prop-2-enylsulfonylethanamine
PubChem CID58685067
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2-prop-2-enylsulfonylethanamine
SMILESC=CCS(=O)(=O)CCN
InChIInChI=1S/C5H11NO2S/c1-2-4-9(7,8)5-3-6/h2H,1,3-6H2
InChIKeyMUYJHTAIMYCTET-UHFFFAOYSA-N
XLogP-0.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfonylethanamine?
The IUPAC name of 2-prop-2-enylsulfonylethanamine (CID 58685067) is 2-prop-2-enylsulfonylethanamine.
What is the SMILES notation for 2-prop-2-enylsulfonylethanamine?
The canonical SMILES for 2-prop-2-enylsulfonylethanamine is C=CCS(=O)(=O)CCN.
What is the InChIKey of 2-prop-2-enylsulfonylethanamine?
The InChIKey is MUYJHTAIMYCTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-2-4-9(7,8)5-3-6/h2H,1,3-6H2.
What are the key properties of 2-prop-2-enylsulfonylethanamine?
2-prop-2-enylsulfonylethanamine has a molecular weight of 149.22 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfonylethanamine is sourced from PubChem (CID 58685067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).