(prop-2-enoyloxymethylamino)methanesulfonic acid

C5H9NO5S — CID 150539409

IUPAC(prop-2-enoyloxymethylamino)methanesulfonic acid
SMILESC=CC(=O)OCNCS(=O)(=O)O
InChIInChI=1S/C5H9NO5S/c1-2-5(7)11-3-6-4-12(8,9)10/h2,6H,1,3-4H2,(H,8,9,10)
InChIKeyIFOAMQYQQIYZQK-UHFFFAOYSA-N
MW195.20 g/mol
LogP-0.89
Rot. Bonds5

About (prop-2-enoyloxymethylamino)methanesulfonic acid

(prop-2-enoyloxymethylamino)methanesulfonic acid (PubChem CID 150539409) has the molecular formula C5H9NO5S and a molecular weight of 195.20 g/mol. Its IUPAC name is (prop-2-enoyloxymethylamino)methanesulfonic acid.

Molecular Properties

Compound Name(prop-2-enoyloxymethylamino)methanesulfonic acid
PubChem CID150539409
Molecular FormulaC5H9NO5S
Molecular Weight195.20 g/mol
Exact Mass195.02
IUPAC Name(prop-2-enoyloxymethylamino)methanesulfonic acid
SMILESC=CC(=O)OCNCS(=O)(=O)O
InChIInChI=1S/C5H9NO5S/c1-2-5(7)11-3-6-4-12(8,9)10/h2,6H,1,3-4H2,(H,8,9,10)
InChIKeyIFOAMQYQQIYZQK-UHFFFAOYSA-N
XLogP-0.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2-prop-2-enoyloxyethylamino)methanesulfonic acid
CID 150122074
sodium;hydride;prop-2-enoyloxymethanesulfonic acid
CID 173366392
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173036299
methyl prop-2-enoate;sulfuric acid
CID 174506127
magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173327637
potassium 3-prop-2-enoyloxypropane-1-sulfonic acid
CID 22045911
4-prop-2-enoyloxybutane-1-sulfonic acid
CID 19833800
5-prop-2-enoyloxypentane-1-sulfonic acid
CID 87566091
2-formamidoethyl prop-2-enoate
CID 18401312
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-prop-2-enoyloxypropane-1,1-disulfonic acid
CID 87960716

Frequently Asked Questions

What is the IUPAC name of (prop-2-enoyloxymethylamino)methanesulfonic acid?
The IUPAC name of (prop-2-enoyloxymethylamino)methanesulfonic acid (CID 150539409) is (prop-2-enoyloxymethylamino)methanesulfonic acid.
What is the SMILES notation for (prop-2-enoyloxymethylamino)methanesulfonic acid?
The canonical SMILES for (prop-2-enoyloxymethylamino)methanesulfonic acid is C=CC(=O)OCNCS(=O)(=O)O.
What is the InChIKey of (prop-2-enoyloxymethylamino)methanesulfonic acid?
The InChIKey is IFOAMQYQQIYZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5S/c1-2-5(7)11-3-6-4-12(8,9)10/h2,6H,1,3-4H2,(H,8,9,10).
What are the key properties of (prop-2-enoyloxymethylamino)methanesulfonic acid?
(prop-2-enoyloxymethylamino)methanesulfonic acid has a molecular weight of 195.20 g/mol, XLogP of -0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (prop-2-enoyloxymethylamino)methanesulfonic acid is sourced from PubChem (CID 150539409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).