3-aminoprop-1-enyl methanesulfonate

C4H9NO3S — CID 173361651

IUPAC3-aminoprop-1-enyl methanesulfonate
SMILESCS(=O)(=O)OC=CCN
InChIInChI=1S/C4H9NO3S/c1-9(6,7)8-4-2-3-5/h2,4H,3,5H2,1H3
InChIKeyUDRREMNTBSHDOV-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.56
Rot. Bonds3

About 3-aminoprop-1-enyl methanesulfonate

3-aminoprop-1-enyl methanesulfonate (PubChem CID 173361651) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 3-aminoprop-1-enyl methanesulfonate.

Molecular Properties

Compound Name3-aminoprop-1-enyl methanesulfonate
PubChem CID173361651
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name3-aminoprop-1-enyl methanesulfonate
SMILESCS(=O)(=O)OC=CCN
InChIInChI=1S/C4H9NO3S/c1-9(6,7)8-4-2-3-5/h2,4H,3,5H2,1H3
InChIKeyUDRREMNTBSHDOV-UHFFFAOYSA-N
XLogP-0.56
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminoprop-1-enyl methanesulfonate?
The IUPAC name of 3-aminoprop-1-enyl methanesulfonate (CID 173361651) is 3-aminoprop-1-enyl methanesulfonate.
What is the SMILES notation for 3-aminoprop-1-enyl methanesulfonate?
The canonical SMILES for 3-aminoprop-1-enyl methanesulfonate is CS(=O)(=O)OC=CCN.
What is the InChIKey of 3-aminoprop-1-enyl methanesulfonate?
The InChIKey is UDRREMNTBSHDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-9(6,7)8-4-2-3-5/h2,4H,3,5H2,1H3.
What are the key properties of 3-aminoprop-1-enyl methanesulfonate?
3-aminoprop-1-enyl methanesulfonate has a molecular weight of 151.19 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoprop-1-enyl methanesulfonate is sourced from PubChem (CID 173361651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).