sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride

C4H8NNaO4S — CID 173229255

IUPACsodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride
SMILESC=C(CS(=O)(=O)O)C(N)=O.[H-].[Na+]
InChIInChI=1S/C4H7NO4S.Na.H/c1-3(4(5)6)2-10(7,8)9;;/h1-2H2,(H2,5,6)(H,7,8,9);;/q;+1;-1
InChIKeyRIAJOOUOFHTZFX-UHFFFAOYSA-N
MW189.17 g/mol
LogP-3.97
Rot. Bonds3

About sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride

sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride (PubChem CID 173229255) has the molecular formula C4H8NNaO4S and a molecular weight of 189.17 g/mol. Its IUPAC name is sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride
PubChem CID173229255
Molecular FormulaC4H8NNaO4S
Molecular Weight189.17 g/mol
Exact Mass189.01
IUPAC Namesodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride
SMILESC=C(CS(=O)(=O)O)C(N)=O.[H-].[Na+]
InChIInChI=1S/C4H7NO4S.Na.H/c1-3(4(5)6)2-10(7,8)9;;/h1-2H2,(H2,5,6)(H,7,8,9);;/q;+1;-1
InChIKeyRIAJOOUOFHTZFX-UHFFFAOYSA-N
XLogP-3.97
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-3.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride?
The IUPAC name of sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride (CID 173229255) is sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride.
What is the SMILES notation for sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride?
The canonical SMILES for sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride is C=C(CS(=O)(=O)O)C(N)=O.[H-].[Na+].
What is the InChIKey of sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride?
The InChIKey is RIAJOOUOFHTZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4S.Na.H/c1-3(4(5)6)2-10(7,8)9;;/h1-2H2,(H2,5,6)(H,7,8,9);;/q;+1;-1.
What are the key properties of sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride?
sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride has a molecular weight of 189.17 g/mol, XLogP of -3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride is sourced from PubChem (CID 173229255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).