azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid

C9H21NO6S — CID 174612493

IUPACazane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid
SMILESC=C(C)C(=O)OCCO.CCCS(=O)(=O)O.N
InChIInChI=1S/C6H10O3.C3H8O3S.H3N/c1-5(2)6(8)9-4-3-7;1-2-3-7(4,5)6;/h7H,1,3-4H2,2H3;2-3H2,1H3,(H,4,5,6);1H3
InChIKeyTZWZBZYRRMENKA-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.54
Rot. Bonds5

About azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid

azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid (PubChem CID 174612493) has the molecular formula C9H21NO6S and a molecular weight of 271.33 g/mol. Its IUPAC name is azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid.

Molecular Properties

Compound Nameazane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid
PubChem CID174612493
Molecular FormulaC9H21NO6S
Molecular Weight271.33 g/mol
Exact Mass271.11
IUPAC Nameazane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid
SMILESC=C(C)C(=O)OCCO.CCCS(=O)(=O)O.N
InChIInChI=1S/C6H10O3.C3H8O3S.H3N/c1-5(2)6(8)9-4-3-7;1-2-3-7(4,5)6;/h7H,1,3-4H2,2H3;2-3H2,1H3,(H,4,5,6);1H3
InChIKeyTZWZBZYRRMENKA-UHFFFAOYSA-N
XLogP0.54
TPSA135.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;hydrate
CID 139744922
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 173327634
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-methylprop-2-enamide;propane-1-sulfonic acid
CID 22719384
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethanesulfonic acid
CID 122611081
2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 22757411
azane;propyl 2-methylprop-2-enoate
CID 172812841
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid?
The IUPAC name of azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid (CID 174612493) is azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid.
What is the SMILES notation for azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid?
The canonical SMILES for azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid is C=C(C)C(=O)OCCO.CCCS(=O)(=O)O.N.
What is the InChIKey of azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid?
The InChIKey is TZWZBZYRRMENKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H8O3S.H3N/c1-5(2)6(8)9-4-3-7;1-2-3-7(4,5)6;/h7H,1,3-4H2,2H3;2-3H2,1H3,(H,4,5,6);1H3.
What are the key properties of azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid?
azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid has a molecular weight of 271.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid is sourced from PubChem (CID 174612493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).