potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite

C7H13KNO4S- — CID 174951476

IUPACpotassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite
SMILESC=CC(=O)NCC(C)(C)OS(=O)[O-].[H-].[K+]
InChIInChI=1S/C7H13NO4S.K.H/c1-4-6(9)8-5-7(2,3)12-13(10)11;;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11);;/q;+1;-1/p-1
InChIKeyALSBDJZDIOZPHA-UHFFFAOYSA-M
MW246.35 g/mol
LogP-3.01
Rot. Bonds5

About potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite

potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite (PubChem CID 174951476) has the molecular formula C7H13KNO4S- and a molecular weight of 246.35 g/mol. Its IUPAC name is potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite.

Molecular Properties

Compound Namepotassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite
PubChem CID174951476
Molecular FormulaC7H13KNO4S-
Molecular Weight246.35 g/mol
Exact Mass246.02
IUPAC Namepotassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite
SMILESC=CC(=O)NCC(C)(C)OS(=O)[O-].[H-].[K+]
InChIInChI=1S/C7H13NO4S.K.H/c1-4-6(9)8-5-7(2,3)12-13(10)11;;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11);;/q;+1;-1/p-1
InChIKeyALSBDJZDIOZPHA-UHFFFAOYSA-M
XLogP-3.01
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-3.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfate
CID 174730556
sodium 2-(prop-2-enoylamino)propan-2-yl sulfite
CID 141350323
N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide
CID 167098282
N-[2-methyl-2-(methylamino)propyl]prop-2-enamide
CID 155577367
N-(2-ethyl-2-methylbutyl)prop-2-enamide
CID 146614205
potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride
CID 174745288
lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite
CID 175485708
2-hydroxy-2-methyl-3-(prop-2-enoylamino)propane-1-sulfonic acid
CID 174974804
N-(3-ethoxy-3-methylbutyl)prop-2-enamide
CID 123897679
N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 89037508
2-ethyl-2-[(prop-2-enoylamino)methyl]butanoic acid
CID 115429764
1-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]butane-2-sulfonic acid
CID 87757557

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite?
The IUPAC name of potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite (CID 174951476) is potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite.
What is the SMILES notation for potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite?
The canonical SMILES for potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite is C=CC(=O)NCC(C)(C)OS(=O)[O-].[H-].[K+].
What is the InChIKey of potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite?
The InChIKey is ALSBDJZDIOZPHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO4S.K.H/c1-4-6(9)8-5-7(2,3)12-13(10)11;;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11);;/q;+1;-1/p-1.
What are the key properties of potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite?
potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite has a molecular weight of 246.35 g/mol, XLogP of -3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite is sourced from PubChem (CID 174951476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).