1-amino-2-hydroxynonane-3-sulfonic acid

C9H21NO4S — CID 141131819

IUPAC1-amino-2-hydroxynonane-3-sulfonic acid
SMILESCCCCCCC(C(O)CN)S(=O)(=O)O
InChIInChI=1S/C9H21NO4S/c1-2-3-4-5-6-9(8(11)7-10)15(12,13)14/h8-9,11H,2-7,10H2,1H3,(H,12,13,14)
InChIKeyJNVQLXXQLFQBKJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.53
Rot. Bonds8

About 1-amino-2-hydroxynonane-3-sulfonic acid

1-amino-2-hydroxynonane-3-sulfonic acid (PubChem CID 141131819) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-amino-2-hydroxynonane-3-sulfonic acid.

Molecular Properties

Compound Name1-amino-2-hydroxynonane-3-sulfonic acid
PubChem CID141131819
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Name1-amino-2-hydroxynonane-3-sulfonic acid
SMILESCCCCCCC(C(O)CN)S(=O)(=O)O
InChIInChI=1S/C9H21NO4S/c1-2-3-4-5-6-9(8(11)7-10)15(12,13)14/h8-9,11H,2-7,10H2,1H3,(H,12,13,14)
InChIKeyJNVQLXXQLFQBKJ-UHFFFAOYSA-N
XLogP0.53
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.53
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

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1-aminooctadecane-1-sulfonic acid
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1-hydroxyoctane-1-sulfonic acid
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dodecane-5-sulfonic acid
CID 87491021
1-amino-3-methylundecan-2-ol
CID 123763620
1-(2,3-dihydroxynonadecylsulfonyl)nonadecane-2,3-diol
CID 88828772
sodium 1-hydroxydecane-1-sulfonic acid
CID 23131177
CID 170846812
CID 170846812
nonacosane-14,15-diol
CID 91509633
docosane-11-sulfonic acid
CID 175254897

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-hydroxynonane-3-sulfonic acid?
The IUPAC name of 1-amino-2-hydroxynonane-3-sulfonic acid (CID 141131819) is 1-amino-2-hydroxynonane-3-sulfonic acid.
What is the SMILES notation for 1-amino-2-hydroxynonane-3-sulfonic acid?
The canonical SMILES for 1-amino-2-hydroxynonane-3-sulfonic acid is CCCCCCC(C(O)CN)S(=O)(=O)O.
What is the InChIKey of 1-amino-2-hydroxynonane-3-sulfonic acid?
The InChIKey is JNVQLXXQLFQBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-2-3-4-5-6-9(8(11)7-10)15(12,13)14/h8-9,11H,2-7,10H2,1H3,(H,12,13,14).
What are the key properties of 1-amino-2-hydroxynonane-3-sulfonic acid?
1-amino-2-hydroxynonane-3-sulfonic acid has a molecular weight of 239.34 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-hydroxynonane-3-sulfonic acid is sourced from PubChem (CID 141131819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).