(2-prop-2-enoyloxyethylamino)methanesulfonic acid

C6H11NO5S — CID 150122074

IUPAC(2-prop-2-enoyloxyethylamino)methanesulfonic acid
SMILESC=CC(=O)OCCNCS(=O)(=O)O
InChIInChI=1S/C6H11NO5S/c1-2-6(8)12-4-3-7-5-13(9,10)11/h2,7H,1,3-5H2,(H,9,10,11)
InChIKeyDZLMEQJCZUPPPW-UHFFFAOYSA-N
MW209.22 g/mol
LogP-0.85
Rot. Bonds6

About (2-prop-2-enoyloxyethylamino)methanesulfonic acid

(2-prop-2-enoyloxyethylamino)methanesulfonic acid (PubChem CID 150122074) has the molecular formula C6H11NO5S and a molecular weight of 209.22 g/mol. Its IUPAC name is (2-prop-2-enoyloxyethylamino)methanesulfonic acid.

Molecular Properties

Compound Name(2-prop-2-enoyloxyethylamino)methanesulfonic acid
PubChem CID150122074
Molecular FormulaC6H11NO5S
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name(2-prop-2-enoyloxyethylamino)methanesulfonic acid
SMILESC=CC(=O)OCCNCS(=O)(=O)O
InChIInChI=1S/C6H11NO5S/c1-2-6(8)12-4-3-7-5-13(9,10)11/h2,7H,1,3-5H2,(H,9,10,11)
InChIKeyDZLMEQJCZUPPPW-UHFFFAOYSA-N
XLogP-0.85
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(prop-2-enoyloxymethylamino)methanesulfonic acid
CID 150539409
2-formamidoethyl prop-2-enoate
CID 18401312
lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173036299
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173327637
sodium;hydride;prop-2-enoyloxymethanesulfonic acid
CID 173366392
potassium 3-prop-2-enoyloxypropane-1-sulfonic acid
CID 22045911
4-prop-2-enoyloxybutane-1-sulfonic acid
CID 19833800
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
2-(3-methylbut-2-enylamino)ethyl prop-2-enoate
CID 140524543
5-prop-2-enoyloxypentane-1-sulfonic acid
CID 87566091
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enoyloxyethylamino)methanesulfonic acid?
The IUPAC name of (2-prop-2-enoyloxyethylamino)methanesulfonic acid (CID 150122074) is (2-prop-2-enoyloxyethylamino)methanesulfonic acid.
What is the SMILES notation for (2-prop-2-enoyloxyethylamino)methanesulfonic acid?
The canonical SMILES for (2-prop-2-enoyloxyethylamino)methanesulfonic acid is C=CC(=O)OCCNCS(=O)(=O)O.
What is the InChIKey of (2-prop-2-enoyloxyethylamino)methanesulfonic acid?
The InChIKey is DZLMEQJCZUPPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5S/c1-2-6(8)12-4-3-7-5-13(9,10)11/h2,7H,1,3-5H2,(H,9,10,11).
What are the key properties of (2-prop-2-enoyloxyethylamino)methanesulfonic acid?
(2-prop-2-enoyloxyethylamino)methanesulfonic acid has a molecular weight of 209.22 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enoyloxyethylamino)methanesulfonic acid is sourced from PubChem (CID 150122074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).