potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)

C14H28KN2NaO8S2 — CID 175213008

IUPACpotassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)
SMILESC=CC(=O)NC(C)(C)CS(=O)(=O)O.C=CC(=O)NC(C)(C)CS(=O)(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/2C7H13NO4S.K.Na.2H/c2*1-4-6(9)8-7(2,3)5-13(10,11)12;;;;/h2*4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);;;;/q;;2*+1;2*-1
InChIKeyQNZJPUPYJUGCNI-UHFFFAOYSA-N
MW478.61 g/mol
LogP-5.86
Rot. Bonds8

About potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)

potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid) (PubChem CID 175213008) has the molecular formula C14H28KN2NaO8S2 and a molecular weight of 478.61 g/mol. Its IUPAC name is potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid).

Molecular Properties

Compound Namepotassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)
PubChem CID175213008
Molecular FormulaC14H28KN2NaO8S2
Molecular Weight478.61 g/mol
Exact Mass478.08
IUPAC Namepotassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)
SMILESC=CC(=O)NC(C)(C)CS(=O)(=O)O.C=CC(=O)NC(C)(C)CS(=O)(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/2C7H13NO4S.K.Na.2H/c2*1-4-6(9)8-7(2,3)5-13(10,11)12;;;;/h2*4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);;;;/q;;2*+1;2*-1
InChIKeyQNZJPUPYJUGCNI-UHFFFAOYSA-N
XLogP-5.86
TPSA166.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 5-5.86
H-Bond Donors ≤ 54
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

sodium;methanolate;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 175540739
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;dihydrate
CID 141386572
alumane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173293073
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;1-methylsulfonylethene
CID 157315544
butane-1-sulfonic acid;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 87377360
deuterio 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 175771055
3-methylbut-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 131740959
sodium;methanol;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 175540751
2-methylidene-5-sulfopentanoic acid;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 87837831
[2-methyl-2-(prop-2-enoylamino)propyl]sulfonyl 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 154084381
2,3,3-trimethyl-2-(prop-2-enoylamino)butane-1-sulfonic acid
CID 175545779
carbanylium;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 162072286

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)?
The IUPAC name of potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid) (CID 175213008) is potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid).
What is the SMILES notation for potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)?
The canonical SMILES for potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid) is C=CC(=O)NC(C)(C)CS(=O)(=O)O.C=CC(=O)NC(C)(C)CS(=O)(=O)O.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)?
The InChIKey is QNZJPUPYJUGCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13NO4S.K.Na.2H/c2*1-4-6(9)8-7(2,3)5-13(10,11)12;;;;/h2*4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);;;;/q;;2*+1;2*-1.
What are the key properties of potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)?
potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid) has a molecular weight of 478.61 g/mol, XLogP of -5.86, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid) is sourced from PubChem (CID 175213008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).