potassium 3-(dodecylsulfonylamino)propanoate

C15H30KNO4S — CID 101285229

IUPACpotassium 3-(dodecylsulfonylamino)propanoate
SMILESCCCCCCCCCCCCS(=O)(=O)NCCC(=O)[O-].[K+]
InChIInChI=1S/C15H31NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-14-21(19,20)16-13-12-15(17)18;/h16H,2-14H2,1H3,(H,17,18);/q;+1/p-1
InChIKeyCHLDMVJVKQYMOU-UHFFFAOYSA-M
MW359.57 g/mol
LogP-1.03
Rot. Bonds15

About potassium 3-(dodecylsulfonylamino)propanoate

potassium 3-(dodecylsulfonylamino)propanoate (PubChem CID 101285229) has the molecular formula C15H30KNO4S and a molecular weight of 359.57 g/mol. Its IUPAC name is potassium 3-(dodecylsulfonylamino)propanoate.

Molecular Properties

Compound Namepotassium 3-(dodecylsulfonylamino)propanoate
PubChem CID101285229
Molecular FormulaC15H30KNO4S
Molecular Weight359.57 g/mol
Exact Mass359.15
IUPAC Namepotassium 3-(dodecylsulfonylamino)propanoate
SMILESCCCCCCCCCCCCS(=O)(=O)NCCC(=O)[O-].[K+]
InChIInChI=1S/C15H31NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-14-21(19,20)16-13-12-15(17)18;/h16H,2-14H2,1H3,(H,17,18);/q;+1/p-1
InChIKeyCHLDMVJVKQYMOU-UHFFFAOYSA-M
XLogP-1.03
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.57
LogP ≤ 5-1.03
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-(octylsulfonylamino)propanoate
CID 101285225
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-(dodecylsulfonylamino)propanoate?
The IUPAC name of potassium 3-(dodecylsulfonylamino)propanoate (CID 101285229) is potassium 3-(dodecylsulfonylamino)propanoate.
What is the SMILES notation for potassium 3-(dodecylsulfonylamino)propanoate?
The canonical SMILES for potassium 3-(dodecylsulfonylamino)propanoate is CCCCCCCCCCCCS(=O)(=O)NCCC(=O)[O-].[K+].
What is the InChIKey of potassium 3-(dodecylsulfonylamino)propanoate?
The InChIKey is CHLDMVJVKQYMOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H31NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-14-21(19,20)16-13-12-15(17)18;/h16H,2-14H2,1H3,(H,17,18);/q;+1/p-1.
What are the key properties of potassium 3-(dodecylsulfonylamino)propanoate?
potassium 3-(dodecylsulfonylamino)propanoate has a molecular weight of 359.57 g/mol, XLogP of -1.03, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(dodecylsulfonylamino)propanoate is sourced from PubChem (CID 101285229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).