potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide

C10H22KN3O4S — CID 175567014

IUPACpotassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide
SMILESC1CNCCN1.NCC(=O)[O-].O=S1(=O)CCCC1.[K+]
InChIInChI=1S/C4H10N2.C4H8O2S.C2H5NO2.K/c1-2-6-4-3-5-1;5-7(6)3-1-2-4-7;3-1-2(4)5;/h5-6H,1-4H2;1-4H2;1,3H2,(H,4,5);/q;;;+1/p-1
InChIKeyPQBDHCWJTXNFSP-UHFFFAOYSA-M
MW319.47 g/mol
LogP-5.93
Rot. Bonds1

About potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide

potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide (PubChem CID 175567014) has the molecular formula C10H22KN3O4S and a molecular weight of 319.47 g/mol. Its IUPAC name is potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide.

Molecular Properties

Compound Namepotassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide
PubChem CID175567014
Molecular FormulaC10H22KN3O4S
Molecular Weight319.47 g/mol
Exact Mass319.10
IUPAC Namepotassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide
SMILESC1CNCCN1.NCC(=O)[O-].O=S1(=O)CCCC1.[K+]
InChIInChI=1S/C4H10N2.C4H8O2S.C2H5NO2.K/c1-2-6-4-3-5-1;5-7(6)3-1-2-4-7;3-1-2(4)5;/h5-6H,1-4H2;1-4H2;1,3H2,(H,4,5);/q;;;+1/p-1
InChIKeyPQBDHCWJTXNFSP-UHFFFAOYSA-M
XLogP-5.93
TPSA124.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 5-5.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide?
The IUPAC name of potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide (CID 175567014) is potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide.
What is the SMILES notation for potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide?
The canonical SMILES for potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide is C1CNCCN1.NCC(=O)[O-].O=S1(=O)CCCC1.[K+].
What is the InChIKey of potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide?
The InChIKey is PQBDHCWJTXNFSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2.C4H8O2S.C2H5NO2.K/c1-2-6-4-3-5-1;5-7(6)3-1-2-4-7;3-1-2(4)5;/h5-6H,1-4H2;1-4H2;1,3H2,(H,4,5);/q;;;+1/p-1.
What are the key properties of potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide?
potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide has a molecular weight of 319.47 g/mol, XLogP of -5.93, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-aminoacetate;piperazine;thiolane 1,1-dioxide is sourced from PubChem (CID 175567014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).