nonan-1-amine;2-sulfoacetic acid

C11H25NO5S — CID 172774615

IUPACnonan-1-amine;2-sulfoacetic acid
SMILESCCCCCCCCCN.O=C(O)CS(=O)(=O)O
InChIInChI=1S/C9H21N.C2H4O5S/c1-2-3-4-5-6-7-8-9-10;3-2(4)1-8(5,6)7/h2-10H2,1H3;1H2,(H,3,4)(H,5,6,7)
InChIKeyNKLRFVDQEZKPLQ-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.65
Rot. Bonds9

About nonan-1-amine;2-sulfoacetic acid

nonan-1-amine;2-sulfoacetic acid (PubChem CID 172774615) has the molecular formula C11H25NO5S and a molecular weight of 283.39 g/mol. Its IUPAC name is nonan-1-amine;2-sulfoacetic acid.

Molecular Properties

Compound Namenonan-1-amine;2-sulfoacetic acid
PubChem CID172774615
Molecular FormulaC11H25NO5S
Molecular Weight283.39 g/mol
Exact Mass283.15
IUPAC Namenonan-1-amine;2-sulfoacetic acid
SMILESCCCCCCCCCN.O=C(O)CS(=O)(=O)O
InChIInChI=1S/C9H21N.C2H4O5S/c1-2-3-4-5-6-7-8-9-10;3-2(4)1-8(5,6)7/h2-10H2,1H3;1H2,(H,3,4)(H,5,6,7)
InChIKeyNKLRFVDQEZKPLQ-UHFFFAOYSA-N
XLogP1.65
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of nonan-1-amine;2-sulfoacetic acid?
The IUPAC name of nonan-1-amine;2-sulfoacetic acid (CID 172774615) is nonan-1-amine;2-sulfoacetic acid.
What is the SMILES notation for nonan-1-amine;2-sulfoacetic acid?
The canonical SMILES for nonan-1-amine;2-sulfoacetic acid is CCCCCCCCCN.O=C(O)CS(=O)(=O)O.
What is the InChIKey of nonan-1-amine;2-sulfoacetic acid?
The InChIKey is NKLRFVDQEZKPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H4O5S/c1-2-3-4-5-6-7-8-9-10;3-2(4)1-8(5,6)7/h2-10H2,1H3;1H2,(H,3,4)(H,5,6,7).
What are the key properties of nonan-1-amine;2-sulfoacetic acid?
nonan-1-amine;2-sulfoacetic acid has a molecular weight of 283.39 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-1-amine;2-sulfoacetic acid is sourced from PubChem (CID 172774615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).