ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid

C8H17NO5S — CID 15323044

IUPACethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid
SMILESC=CCOCC(O)CN(CC)S(=O)(=O)O
InChIInChI=1S/C8H17NO5S/c1-3-5-14-7-8(10)6-9(4-2)15(11,12)13/h3,8,10H,1,4-7H2,2H3,(H,11,12,13)
InChIKeyQNXRAMCDEUDJLT-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.33
Rot. Bonds8

About ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid

ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid (PubChem CID 15323044) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid.

Molecular Properties

Compound Nameethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid
PubChem CID15323044
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Nameethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid
SMILESC=CCOCC(O)CN(CC)S(=O)(=O)O
InChIInChI=1S/C8H17NO5S/c1-3-5-14-7-8(10)6-9(4-2)15(11,12)13/h3,8,10H,1,4-7H2,2H3,(H,11,12,13)
InChIKeyQNXRAMCDEUDJLT-UHFFFAOYSA-N
XLogP-0.33
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid?
The IUPAC name of ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid (CID 15323044) is ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid.
What is the SMILES notation for ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid?
The canonical SMILES for ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid is C=CCOCC(O)CN(CC)S(=O)(=O)O.
What is the InChIKey of ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid?
The InChIKey is QNXRAMCDEUDJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-3-5-14-7-8(10)6-9(4-2)15(11,12)13/h3,8,10H,1,4-7H2,2H3,(H,11,12,13).
What are the key properties of ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid?
ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid has a molecular weight of 239.29 g/mol, XLogP of -0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-hydroxy-3-prop-2-enoxypropyl)sulfamic acid is sourced from PubChem (CID 15323044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).