potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid

C8H19KN3O4S+ — CID 126467939

IUPACpotassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid
SMILESCN(CC(O)CN1CCNCC1)S(=O)(=O)O.[K+]
InChIInChI=1S/C8H19N3O4S.K/c1-10(16(13,14)15)6-8(12)7-11-4-2-9-3-5-11;/h8-9,12H,2-7H2,1H3,(H,13,14,15);/q;+1
InChIKeyIMWXZGGKOIXHMG-UHFFFAOYSA-N
MW292.42 g/mol
LogP-5.01
Rot. Bonds5

About potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid

potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid (PubChem CID 126467939) has the molecular formula C8H19KN3O4S+ and a molecular weight of 292.42 g/mol. Its IUPAC name is potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid.

Molecular Properties

Compound Namepotassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid
PubChem CID126467939
Molecular FormulaC8H19KN3O4S+
Molecular Weight292.42 g/mol
Exact Mass292.07
IUPAC Namepotassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid
SMILESCN(CC(O)CN1CCNCC1)S(=O)(=O)O.[K+]
InChIInChI=1S/C8H19N3O4S.K/c1-10(16(13,14)15)6-8(12)7-11-4-2-9-3-5-11;/h8-9,12H,2-7H2,1H3,(H,13,14,15);/q;+1
InChIKeyIMWXZGGKOIXHMG-UHFFFAOYSA-N
XLogP-5.01
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 5-5.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid?
The IUPAC name of potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid (CID 126467939) is potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid.
What is the SMILES notation for potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid?
The canonical SMILES for potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid is CN(CC(O)CN1CCNCC1)S(=O)(=O)O.[K+].
What is the InChIKey of potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid?
The InChIKey is IMWXZGGKOIXHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S.K/c1-10(16(13,14)15)6-8(12)7-11-4-2-9-3-5-11;/h8-9,12H,2-7H2,1H3,(H,13,14,15);/q;+1.
What are the key properties of potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid?
potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid has a molecular weight of 292.42 g/mol, XLogP of -5.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2-hydroxy-3-piperazin-1-ylpropyl)-methylsulfamic acid is sourced from PubChem (CID 126467939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).