CID 172678269

C11H23NNaO4S — CID 172678269

IUPAC—
SMILESCCCCCCCC(=O)N(C)CCS(=O)(=O)O.[Na]
InChIInChI=1S/C11H23NO4S.Na/c1-3-4-5-6-7-8-11(13)12(2)9-10-17(14,15)16;/h3-10H2,1-2H3,(H,14,15,16);
InChIKeyAAQKCDIUEIKKTL-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.31
Rot. Bonds9

About CID 172678269

CID 172678269 (PubChem CID 172678269) has the molecular formula C11H23NNaO4S and a molecular weight of 288.36 g/mol.

Molecular Properties

Compound NameCID 172678269
PubChem CID172678269
Molecular FormulaC11H23NNaO4S
Molecular Weight288.36 g/mol
Exact Mass288.12
IUPAC Name—
SMILESCCCCCCCC(=O)N(C)CCS(=O)(=O)O.[Na]
InChIInChI=1S/C11H23NO4S.Na/c1-3-4-5-6-7-8-11(13)12(2)9-10-17(14,15)16;/h3-10H2,1-2H3,(H,14,15,16);
InChIKeyAAQKCDIUEIKKTL-UHFFFAOYSA-N
XLogP1.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

calcium bis(2-[methyl(undecanoyl)amino]ethanesulfonate)
CID 101283161
sodium 2-[docosanoyl(methyl)amino]ethanesulfonate
CID 101283183
sodium 2-[methyl(octanoyl)amino]ethanesulfonate
CID 71586961
potassium 2-[docosanoyl(methyl)amino]ethanesulfonate
CID 101283185
2-[hexanoyl(methyl)amino]ethanesulfonate
CID 2179685
4-[[(Z)-docos-13-enoyl]-methylamino]butane-1-sulfonic acid
CID 101284668
[methyl(octadecanoyl)amino]methanesulfonic acid
CID 20615725
2-[dodecyl-[6-[dodecyl(2-sulfoethyl)amino]-6-oxohexanoyl]amino]ethanesulfonic acid
CID 102003853
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
potassium 3-[methyl(tetracosanoyl)amino]propane-1-sulfonate
CID 101283795
calcium bis(3-[methyl(tetracosanoyl)amino]propane-1-sulfonate)
CID 101283796

Frequently Asked Questions

What is the IUPAC name of CID 172678269?
The IUPAC name of CID 172678269 (CID 172678269) is not available.
What is the SMILES notation for CID 172678269?
The canonical SMILES for CID 172678269 is CCCCCCCC(=O)N(C)CCS(=O)(=O)O.[Na].
What is the InChIKey of CID 172678269?
The InChIKey is AAQKCDIUEIKKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S.Na/c1-3-4-5-6-7-8-11(13)12(2)9-10-17(14,15)16;/h3-10H2,1-2H3,(H,14,15,16);.
What are the key properties of CID 172678269?
CID 172678269 has a molecular weight of 288.36 g/mol, XLogP of 1.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172678269 is sourced from PubChem (CID 172678269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).