potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate

C12H22KNO4S — CID 101284764

IUPACpotassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate
SMILESCCCCCCCC/C=C/S(=O)(=O)NCC(=O)[O-].[K+]
InChIInChI=1S/C12H23NO4S.K/c1-2-3-4-5-6-7-8-9-10-18(16,17)13-11-12(14)15;/h9-10,13H,2-8,11H2,1H3,(H,14,15);/q;+1/p-1/b10-9+;
InChIKeySZQWYWXZVWELON-RRABGKBLSA-M
MW315.48 g/mol
LogP-2.08
Rot. Bonds11

About potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate

potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate (PubChem CID 101284764) has the molecular formula C12H22KNO4S and a molecular weight of 315.48 g/mol. Its IUPAC name is potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate.

Molecular Properties

Compound Namepotassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate
PubChem CID101284764
Molecular FormulaC12H22KNO4S
Molecular Weight315.48 g/mol
Exact Mass315.09
IUPAC Namepotassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate
SMILESCCCCCCCC/C=C/S(=O)(=O)NCC(=O)[O-].[K+]
InChIInChI=1S/C12H23NO4S.K/c1-2-3-4-5-6-7-8-9-10-18(16,17)13-11-12(14)15;/h9-10,13H,2-8,11H2,1H3,(H,14,15);/q;+1/p-1/b10-9+;
InChIKeySZQWYWXZVWELON-RRABGKBLSA-M
XLogP-2.08
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 5-2.08
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

sodium 2-[[(E)-icos-1-enyl]sulfonylamino]acetate
CID 101284736
sodium 2-[[(E)-octadec-1-enyl]sulfonylamino]acetate
CID 101284732
calcium bis(2-[[(E)-docos-1-enyl]sulfonylamino]acetate)
CID 101284810
potassium 3-[[(E)-hexadec-1-enyl]sulfonylamino]propanoate
CID 101285250
sodium 3-[[(E)-pentadec-1-enyl]sulfonylamino]propanoate
CID 101284854
calcium bis(3-[[(E)-nonadec-1-enyl]sulfonylamino]propanoate)
CID 101285287
sodium 3-[[(E)-heptadec-1-enyl]sulfonylamino]propanoate
CID 101284858
potassium 2-(dodecylsulfonylamino)acetate
CID 101284750
potassium 2-(docosylsulfonylamino)acetate
CID 101284759
2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid
CID 57249983
potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
CID 71309848
lithium (Z)-octadec-9-enoate
CID 23673654

Frequently Asked Questions

What is the IUPAC name of potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate?
The IUPAC name of potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate (CID 101284764) is potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate.
What is the SMILES notation for potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate?
The canonical SMILES for potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate is CCCCCCCC/C=C/S(=O)(=O)NCC(=O)[O-].[K+].
What is the InChIKey of potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate?
The InChIKey is SZQWYWXZVWELON-RRABGKBLSA-M. The full InChI is InChI=1S/C12H23NO4S.K/c1-2-3-4-5-6-7-8-9-10-18(16,17)13-11-12(14)15;/h9-10,13H,2-8,11H2,1H3,(H,14,15);/q;+1/p-1/b10-9+;.
What are the key properties of potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate?
potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate has a molecular weight of 315.48 g/mol, XLogP of -2.08, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate is sourced from PubChem (CID 101284764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).