2-prop-2-enylsulfonylethanamine;hydrochloride

C5H12ClNO2S — CID 75480358

IUPAC2-prop-2-enylsulfonylethanamine;hydrochloride
SMILESC=CCS(=O)(=O)CCN.Cl
InChIInChI=1S/C5H11NO2S.ClH/c1-2-4-9(7,8)5-3-6;/h2H,1,3-6H2;1H
InChIKeyNFHSFYBMHPPZES-UHFFFAOYSA-N
MW185.68 g/mol
LogP-0.03
Rot. Bonds4

About 2-prop-2-enylsulfonylethanamine;hydrochloride

2-prop-2-enylsulfonylethanamine;hydrochloride (PubChem CID 75480358) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 2-prop-2-enylsulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name2-prop-2-enylsulfonylethanamine;hydrochloride
PubChem CID75480358
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name2-prop-2-enylsulfonylethanamine;hydrochloride
SMILESC=CCS(=O)(=O)CCN.Cl
InChIInChI=1S/C5H11NO2S.ClH/c1-2-4-9(7,8)5-3-6;/h2H,1,3-6H2;1H
InChIKeyNFHSFYBMHPPZES-UHFFFAOYSA-N
XLogP-0.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-0.03
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;hydrochloride?
The IUPAC name of 2-prop-2-enylsulfonylethanamine;hydrochloride (CID 75480358) is 2-prop-2-enylsulfonylethanamine;hydrochloride.
What is the SMILES notation for 2-prop-2-enylsulfonylethanamine;hydrochloride?
The canonical SMILES for 2-prop-2-enylsulfonylethanamine;hydrochloride is C=CCS(=O)(=O)CCN.Cl.
What is the InChIKey of 2-prop-2-enylsulfonylethanamine;hydrochloride?
The InChIKey is NFHSFYBMHPPZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c1-2-4-9(7,8)5-3-6;/h2H,1,3-6H2;1H.
What are the key properties of 2-prop-2-enylsulfonylethanamine;hydrochloride?
2-prop-2-enylsulfonylethanamine;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of -0.03, 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;hydrochloride is sourced from PubChem (CID 75480358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).