potassium 2-(dodecylsulfonylamino)acetate

C14H28KNO4S — CID 101284750

IUPACpotassium 2-(dodecylsulfonylamino)acetate
SMILESCCCCCCCCCCCCS(=O)(=O)NCC(=O)[O-].[K+]
InChIInChI=1S/C14H29NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-20(18,19)15-13-14(16)17;/h15H,2-13H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyDTUQYLWWVSVZFC-UHFFFAOYSA-M
MW345.55 g/mol
LogP-1.42
Rot. Bonds14

About potassium 2-(dodecylsulfonylamino)acetate

potassium 2-(dodecylsulfonylamino)acetate (PubChem CID 101284750) has the molecular formula C14H28KNO4S and a molecular weight of 345.55 g/mol. Its IUPAC name is potassium 2-(dodecylsulfonylamino)acetate.

Molecular Properties

Compound Namepotassium 2-(dodecylsulfonylamino)acetate
PubChem CID101284750
Molecular FormulaC14H28KNO4S
Molecular Weight345.55 g/mol
Exact Mass345.14
IUPAC Namepotassium 2-(dodecylsulfonylamino)acetate
SMILESCCCCCCCCCCCCS(=O)(=O)NCC(=O)[O-].[K+]
InChIInChI=1S/C14H29NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-20(18,19)15-13-14(16)17;/h15H,2-13H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyDTUQYLWWVSVZFC-UHFFFAOYSA-M
XLogP-1.42
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 5-1.42
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 2-(docosylsulfonylamino)acetate
CID 101284759
calcium bis(2-(nonylsulfonylamino)acetate)
CID 101284777
sodium 2-(nonadecylsulfonylamino)acetate
CID 101284691
calcium bis(2-(dodecylsulfonylamino)acetate)
CID 101284783
sodium 2-(heptadecylsulfonylamino)acetate
CID 101284688
calcium bis(2-(heptadecylsulfonylamino)acetate)
CID 101284788
potassium 3-(dodecylsulfonylamino)propanoate
CID 101285229
potassium 3-(octylsulfonylamino)propanoate
CID 101285225
2-(nonylsulfonylamino)acetic acid
CID 4052547
2-(tetracosylsulfonylamino)acetic acid
CID 101284702
sodium 3-(heptadecylsulfonylamino)propanoate
CID 101284824
2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
CID 20789852

Frequently Asked Questions

What is the IUPAC name of potassium 2-(dodecylsulfonylamino)acetate?
The IUPAC name of potassium 2-(dodecylsulfonylamino)acetate (CID 101284750) is potassium 2-(dodecylsulfonylamino)acetate.
What is the SMILES notation for potassium 2-(dodecylsulfonylamino)acetate?
The canonical SMILES for potassium 2-(dodecylsulfonylamino)acetate is CCCCCCCCCCCCS(=O)(=O)NCC(=O)[O-].[K+].
What is the InChIKey of potassium 2-(dodecylsulfonylamino)acetate?
The InChIKey is DTUQYLWWVSVZFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H29NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-20(18,19)15-13-14(16)17;/h15H,2-13H2,1H3,(H,16,17);/q;+1/p-1.
What are the key properties of potassium 2-(dodecylsulfonylamino)acetate?
potassium 2-(dodecylsulfonylamino)acetate has a molecular weight of 345.55 g/mol, XLogP of -1.42, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(dodecylsulfonylamino)acetate is sourced from PubChem (CID 101284750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).