potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate

C6H20KNO7S — CID 23668841

IUPACpotassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate
SMILESCC1(C)NCS[C@H]1C(=O)[O-].O.O.O.O.O.[K+]
InChIInChI=1S/C6H11NO2S.K.5H2O/c1-6(2)4(5(8)9)10-3-7-6;;;;;;/h4,7H,3H2,1-2H3,(H,8,9);;5*1H2/q;+1;;;;;/p-1/t4-;;;;;;/m0....../s1
InChIKeyOIDJXEDYXNERMB-OWTZBJGYSA-M
MW289.39 g/mol
LogP-7.94
Rot. Bonds1

About potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate

potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate (PubChem CID 23668841) has the molecular formula C6H20KNO7S and a molecular weight of 289.39 g/mol. Its IUPAC name is potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate.

Molecular Properties

Compound Namepotassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate
PubChem CID23668841
Molecular FormulaC6H20KNO7S
Molecular Weight289.39 g/mol
Exact Mass289.06
IUPAC Namepotassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate
SMILESCC1(C)NCS[C@H]1C(=O)[O-].O.O.O.O.O.[K+]
InChIInChI=1S/C6H11NO2S.K.5H2O/c1-6(2)4(5(8)9)10-3-7-6;;;;;;/h4,7H,3H2,1-2H3,(H,8,9);;5*1H2/q;+1;;;;;/p-1/t4-;;;;;;/m0....../s1
InChIKeyOIDJXEDYXNERMB-OWTZBJGYSA-M
XLogP-7.94
TPSA209.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-7.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate?
The IUPAC name of potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate (CID 23668841) is potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate.
What is the SMILES notation for potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate?
The canonical SMILES for potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate is CC1(C)NCS[C@H]1C(=O)[O-].O.O.O.O.O.[K+].
What is the InChIKey of potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate?
The InChIKey is OIDJXEDYXNERMB-OWTZBJGYSA-M. The full InChI is InChI=1S/C6H11NO2S.K.5H2O/c1-6(2)4(5(8)9)10-3-7-6;;;;;;/h4,7H,3H2,1-2H3,(H,8,9);;5*1H2/q;+1;;;;;/p-1/t4-;;;;;;/m0....../s1.
What are the key properties of potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate?
potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate has a molecular weight of 289.39 g/mol, XLogP of -7.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate is sourced from PubChem (CID 23668841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).