potassium 3-(octylsulfonylamino)propanoate

C11H22KNO4S — CID 101285225

IUPACpotassium 3-(octylsulfonylamino)propanoate
SMILESCCCCCCCCS(=O)(=O)NCCC(=O)[O-].[K+]
InChIInChI=1S/C11H23NO4S.K/c1-2-3-4-5-6-7-10-17(15,16)12-9-8-11(13)14;/h12H,2-10H2,1H3,(H,13,14);/q;+1/p-1
InChIKeyRDGMDQNZMXWGSI-UHFFFAOYSA-M
MW303.47 g/mol
LogP-2.59
Rot. Bonds11

About potassium 3-(octylsulfonylamino)propanoate

potassium 3-(octylsulfonylamino)propanoate (PubChem CID 101285225) has the molecular formula C11H22KNO4S and a molecular weight of 303.47 g/mol. Its IUPAC name is potassium 3-(octylsulfonylamino)propanoate.

Molecular Properties

Compound Namepotassium 3-(octylsulfonylamino)propanoate
PubChem CID101285225
Molecular FormulaC11H22KNO4S
Molecular Weight303.47 g/mol
Exact Mass303.09
IUPAC Namepotassium 3-(octylsulfonylamino)propanoate
SMILESCCCCCCCCS(=O)(=O)NCCC(=O)[O-].[K+]
InChIInChI=1S/C11H23NO4S.K/c1-2-3-4-5-6-7-10-17(15,16)12-9-8-11(13)14;/h12H,2-10H2,1H3,(H,13,14);/q;+1/p-1
InChIKeyRDGMDQNZMXWGSI-UHFFFAOYSA-M
XLogP-2.59
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 5-2.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium 3-(dodecylsulfonylamino)propanoate
CID 101285229
sodium 3-(heptadecylsulfonylamino)propanoate
CID 101284824
potassium 2-(dodecylsulfonylamino)acetate
CID 101284750
potassium 2-(docosylsulfonylamino)acetate
CID 101284759
sodium 2-(nonadecylsulfonylamino)acetate
CID 101284691
calcium bis(2-(dodecylsulfonylamino)acetate)
CID 101284783
sodium 2-(heptadecylsulfonylamino)acetate
CID 101284688
calcium bis(2-(nonylsulfonylamino)acetate)
CID 101284777
calcium bis(2-(heptadecylsulfonylamino)acetate)
CID 101284788
N-(2-hydroxyethyl)decane-1-sulfonamide
CID 171981376
11-(octylsulfonylamino)undecanoic acid
CID 4605614
2-(decylsulfonylamino)ethylcarbamic acid
CID 90012721

Frequently Asked Questions

What is the IUPAC name of potassium 3-(octylsulfonylamino)propanoate?
The IUPAC name of potassium 3-(octylsulfonylamino)propanoate (CID 101285225) is potassium 3-(octylsulfonylamino)propanoate.
What is the SMILES notation for potassium 3-(octylsulfonylamino)propanoate?
The canonical SMILES for potassium 3-(octylsulfonylamino)propanoate is CCCCCCCCS(=O)(=O)NCCC(=O)[O-].[K+].
What is the InChIKey of potassium 3-(octylsulfonylamino)propanoate?
The InChIKey is RDGMDQNZMXWGSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H23NO4S.K/c1-2-3-4-5-6-7-10-17(15,16)12-9-8-11(13)14;/h12H,2-10H2,1H3,(H,13,14);/q;+1/p-1.
What are the key properties of potassium 3-(octylsulfonylamino)propanoate?
potassium 3-(octylsulfonylamino)propanoate has a molecular weight of 303.47 g/mol, XLogP of -2.59, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(octylsulfonylamino)propanoate is sourced from PubChem (CID 101285225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).