2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate

C10H20N2O5S — CID 89155919

IUPAC2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate
SMILESC=CCC(C)[N+](C)(C)C(C)(C(=O)[O-])S(=O)(=O)ON
InChIInChI=1S/C10H20N2O5S/c1-6-7-8(2)12(4,5)10(3,9(13)14)18(15,16)17-11/h6,8H,1,7,11H2,2-5H3
InChIKeyTYZKHXZWXCWLJA-UHFFFAOYSA-N
MW280.35 g/mol
LogP-1.29
Rot. Bonds7

About 2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate

2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate (PubChem CID 89155919) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate.

Molecular Properties

Compound Name2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate
PubChem CID89155919
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate
SMILESC=CCC(C)[N+](C)(C)C(C)(C(=O)[O-])S(=O)(=O)ON
InChIInChI=1S/C10H20N2O5S/c1-6-7-8(2)12(4,5)10(3,9(13)14)18(15,16)17-11/h6,8H,1,7,11H2,2-5H3
InChIKeyTYZKHXZWXCWLJA-UHFFFAOYSA-N
XLogP-1.29
TPSA109.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate?
The IUPAC name of 2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate (CID 89155919) is 2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate.
What is the SMILES notation for 2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate?
The canonical SMILES for 2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate is C=CCC(C)[N+](C)(C)C(C)(C(=O)[O-])S(=O)(=O)ON.
What is the InChIKey of 2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate?
The InChIKey is TYZKHXZWXCWLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-6-7-8(2)12(4,5)10(3,9(13)14)18(15,16)17-11/h6,8H,1,7,11H2,2-5H3.
What are the key properties of 2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate?
2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate has a molecular weight of 280.35 g/mol, XLogP of -1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxysulfonyl-2-[dimethyl(pent-4-en-2-yl)azaniumyl]propanoate is sourced from PubChem (CID 89155919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).