potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride

C8H16KNO4S — CID 174745288

IUPACpotassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride
SMILESC=CC(=O)NCC(C)(C)CS(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C8H15NO4S.K.H/c1-4-7(10)9-5-8(2,3)6-14(11,12)13;;/h4H,1,5-6H2,2-3H3,(H,9,10)(H,11,12,13);;/q;+1;-1
InChIKeyYXIFYYZFIFTQMR-UHFFFAOYSA-N
MW261.38 g/mol
LogP-2.68
Rot. Bonds5

About potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride

potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride (PubChem CID 174745288) has the molecular formula C8H16KNO4S and a molecular weight of 261.38 g/mol. Its IUPAC name is potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride
PubChem CID174745288
Molecular FormulaC8H16KNO4S
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC Namepotassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride
SMILESC=CC(=O)NCC(C)(C)CS(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C8H15NO4S.K.H/c1-4-7(10)9-5-8(2,3)6-14(11,12)13;;/h4H,1,5-6H2,2-3H3,(H,9,10)(H,11,12,13);;/q;+1;-1
InChIKeyYXIFYYZFIFTQMR-UHFFFAOYSA-N
XLogP-2.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 5-2.68
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

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
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
1-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]butane-2-sulfonic acid
CID 87757557
bis[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfate
CID 174730556
2,3,3-trimethyl-2-(prop-2-enoylamino)butane-1-sulfonic acid
CID 175545779
sodium;hydride;(prop-2-enoylamino)methanesulfonic acid
CID 173449632
sodium;methanolate;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 175540739
N-(2-ethyl-2-methylbutyl)prop-2-enamide
CID 146614205
N-[2-methyl-2-(methylamino)propyl]prop-2-enamide
CID 155577367
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;1-methylsulfonylethene
CID 157315544

Frequently Asked Questions

What is the IUPAC name of potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride?
The IUPAC name of potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride (CID 174745288) is potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride.
What is the SMILES notation for potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride?
The canonical SMILES for potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride is C=CC(=O)NCC(C)(C)CS(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride?
The InChIKey is YXIFYYZFIFTQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S.K.H/c1-4-7(10)9-5-8(2,3)6-14(11,12)13;;/h4H,1,5-6H2,2-3H3,(H,9,10)(H,11,12,13);;/q;+1;-1.
What are the key properties of potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride?
potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride has a molecular weight of 261.38 g/mol, XLogP of -2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride is sourced from PubChem (CID 174745288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).