sodium;hydride;(prop-2-enoylamino)methanesulfonic acid

C4H8NNaO4S — CID 173449632

IUPACsodium;hydride;(prop-2-enoylamino)methanesulfonic acid
SMILESC=CC(=O)NCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H7NO4S.Na.H/c1-2-4(6)5-3-10(7,8)9;;/h2H,1,3H2,(H,5,6)(H,7,8,9);;/q;+1;-1
InChIKeyABKPSQWGGPXHQB-UHFFFAOYSA-N
MW189.17 g/mol
LogP-3.75
Rot. Bonds3

About sodium;hydride;(prop-2-enoylamino)methanesulfonic acid

sodium;hydride;(prop-2-enoylamino)methanesulfonic acid (PubChem CID 173449632) has the molecular formula C4H8NNaO4S and a molecular weight of 189.17 g/mol. Its IUPAC name is sodium;hydride;(prop-2-enoylamino)methanesulfonic acid.

Molecular Properties

Compound Namesodium;hydride;(prop-2-enoylamino)methanesulfonic acid
PubChem CID173449632
Molecular FormulaC4H8NNaO4S
Molecular Weight189.17 g/mol
Exact Mass189.01
IUPAC Namesodium;hydride;(prop-2-enoylamino)methanesulfonic acid
SMILESC=CC(=O)NCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H7NO4S.Na.H/c1-2-4(6)5-3-10(7,8)9;;/h2H,1,3H2,(H,5,6)(H,7,8,9);;/q;+1;-1
InChIKeyABKPSQWGGPXHQB-UHFFFAOYSA-N
XLogP-3.75
TPSA83.47 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 ≤ 5-3.75
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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Related Compounds

8-(prop-2-enoylamino)octane-1-sulfonic acid
CID 21454264
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride
CID 174745288
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
sodium 8-(prop-2-enoylamino)octane-1-sulfonate
CID 141402013
2-hydroxy-2-methyl-3-(prop-2-enoylamino)propane-1-sulfonic acid
CID 174974804
potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)
CID 175213008
CID 173161904
CID 173161904
4-(prop-2-enoylamino)butane-1,3-disulfonic acid
CID 175912140
1-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]butane-2-sulfonic acid
CID 87757557
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
N-(sulfanylmethyl)prop-2-enamide
CID 21197466

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(prop-2-enoylamino)methanesulfonic acid?
The IUPAC name of sodium;hydride;(prop-2-enoylamino)methanesulfonic acid (CID 173449632) is sodium;hydride;(prop-2-enoylamino)methanesulfonic acid.
What is the SMILES notation for sodium;hydride;(prop-2-enoylamino)methanesulfonic acid?
The canonical SMILES for sodium;hydride;(prop-2-enoylamino)methanesulfonic acid is C=CC(=O)NCS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(prop-2-enoylamino)methanesulfonic acid?
The InChIKey is ABKPSQWGGPXHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4S.Na.H/c1-2-4(6)5-3-10(7,8)9;;/h2H,1,3H2,(H,5,6)(H,7,8,9);;/q;+1;-1.
What are the key properties of sodium;hydride;(prop-2-enoylamino)methanesulfonic acid?
sodium;hydride;(prop-2-enoylamino)methanesulfonic acid has a molecular weight of 189.17 g/mol, XLogP of -3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(prop-2-enoylamino)methanesulfonic acid is sourced from PubChem (CID 173449632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).