potassium 5-aminopentane-1-sulfonate

C5H12KNO3S — CID 139697240

IUPACpotassium 5-aminopentane-1-sulfonate
SMILESNCCCCCS(=O)(=O)[O-].[K+]
InChIInChI=1S/C5H13NO3S.K/c6-4-2-1-3-5-10(7,8)9;/h1-6H2,(H,7,8,9);/q;+1/p-1
InChIKeyYFAFQKJSIWBOQC-UHFFFAOYSA-M
MW205.32 g/mol
LogP-3.34
Rot. Bonds5

About potassium 5-aminopentane-1-sulfonate

potassium 5-aminopentane-1-sulfonate (PubChem CID 139697240) has the molecular formula C5H12KNO3S and a molecular weight of 205.32 g/mol. Its IUPAC name is potassium 5-aminopentane-1-sulfonate.

Molecular Properties

Compound Namepotassium 5-aminopentane-1-sulfonate
PubChem CID139697240
Molecular FormulaC5H12KNO3S
Molecular Weight205.32 g/mol
Exact Mass205.02
IUPAC Namepotassium 5-aminopentane-1-sulfonate
SMILESNCCCCCS(=O)(=O)[O-].[K+]
InChIInChI=1S/C5H13NO3S.K/c6-4-2-1-3-5-10(7,8)9;/h1-6H2,(H,7,8,9);/q;+1/p-1
InChIKeyYFAFQKJSIWBOQC-UHFFFAOYSA-M
XLogP-3.34
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 5-3.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium 3-aminopropane-1-sulfonate
CID 118523249
strontium bis(3-aminopropane-1-sulfonate)
CID 87367236
undecane-1,11-disulfonate
CID 23618255
disodium;decane-1,10-disulfonate
CID 87519177
dialuminum;bis(hexane-1,6-diamine);trisulfate
CID 173360259
5-fluoropentane-1-sulfonate
CID 20976710
potassium tridecane-1-sulfonate
CID 23711351
potassium undecane-1-sulfonate
CID 23711356
10-bromodecane-1-sulfonate
CID 140608161
lithium hexane-1-sulfonate
CID 87141758
silver pentadecane-1-sulfonate
CID 102573896
cesium hexane-1-sulfonate
CID 141317548

Frequently Asked Questions

What is the IUPAC name of potassium 5-aminopentane-1-sulfonate?
The IUPAC name of potassium 5-aminopentane-1-sulfonate (CID 139697240) is potassium 5-aminopentane-1-sulfonate.
What is the SMILES notation for potassium 5-aminopentane-1-sulfonate?
The canonical SMILES for potassium 5-aminopentane-1-sulfonate is NCCCCCS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 5-aminopentane-1-sulfonate?
The InChIKey is YFAFQKJSIWBOQC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO3S.K/c6-4-2-1-3-5-10(7,8)9;/h1-6H2,(H,7,8,9);/q;+1/p-1.
What are the key properties of potassium 5-aminopentane-1-sulfonate?
potassium 5-aminopentane-1-sulfonate has a molecular weight of 205.32 g/mol, XLogP of -3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-aminopentane-1-sulfonate is sourced from PubChem (CID 139697240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).