2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid

C23H37NO4S — CID 173456660

IUPAC2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid
SMILESCCCCCCCCCCCc1ccc2ccccc2c1S(=O)(=O)O.NCCO
InChIInChI=1S/C21H30O3S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-14-19-17-16-18-13-11-12-15-20(18)21(19)25(22,23)24;3-1-2-4/h11-13,15-17H,2-10,14H2,1H3,(H,22,23,24);4H,1-3H2
InChIKeyWWPOTAWDRPCYSS-UHFFFAOYSA-N
MW423.62 g/mol
LogP5.10
Rot. Bonds12

About 2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid

2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid (PubChem CID 173456660) has the molecular formula C23H37NO4S and a molecular weight of 423.62 g/mol. Its IUPAC name is 2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid
PubChem CID173456660
Molecular FormulaC23H37NO4S
Molecular Weight423.62 g/mol
Exact Mass423.24
IUPAC Name2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid
SMILESCCCCCCCCCCCc1ccc2ccccc2c1S(=O)(=O)O.NCCO
InChIInChI=1S/C21H30O3S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-14-19-17-16-18-13-11-12-15-20(18)21(19)25(22,23)24;3-1-2-4/h11-13,15-17H,2-10,14H2,1H3,(H,22,23,24);4H,1-3H2
InChIKeyWWPOTAWDRPCYSS-UHFFFAOYSA-N
XLogP5.10
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.62
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

CID 87495207
CID 87495207
calcium;2-dodecylnaphthalene-1-sulfonic acid;hydride
CID 173426649
2-decylnaphthalene-1-sulfonic acid;prop-1-ene-1-thiol
CID 159291127
2,6-di(nonyl)naphthalene-1,5-disulfonic acid
CID 57358299
3-octylnaphthalene-1,2-disulfonic acid
CID 18944571
sodium 2-docosylnaphthalene-1-sulfonate
CID 23675364
cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)
CID 21277425
2,4-di(undecyl)naphthalene-1-sulfonic acid
CID 101319059
2,7-di(heptadecyl)naphthalene-1-sulfonic acid
CID 101319308
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
2,3-dihexylnaphthalene-1-sulfonic acid;formaldehyde
CID 130237556
calcium;2,3-di(nonyl)naphthalene-1-sulfonic acid;hydride
CID 173226904

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid?
The IUPAC name of 2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid (CID 173456660) is 2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid.
What is the SMILES notation for 2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid?
The canonical SMILES for 2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid is CCCCCCCCCCCc1ccc2ccccc2c1S(=O)(=O)O.NCCO.
What is the InChIKey of 2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid?
The InChIKey is WWPOTAWDRPCYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O3S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-14-19-17-16-18-13-11-12-15-20(18)21(19)25(22,23)24;3-1-2-4/h11-13,15-17H,2-10,14H2,1H3,(H,22,23,24);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid?
2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid has a molecular weight of 423.62 g/mol, XLogP of 5.10, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-undecylnaphthalene-1-sulfonic acid is sourced from PubChem (CID 173456660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).