6-(3-ethoxypropylamino)hexane-1-sulfonic acid

C11H25NO4S — CID 151406312

IUPAC6-(3-ethoxypropylamino)hexane-1-sulfonic acid
SMILESCCOCCCNCCCCCCS(=O)(=O)O
InChIInChI=1S/C11H25NO4S/c1-2-16-10-7-9-12-8-5-3-4-6-11-17(13,14)15/h12H,2-11H2,1H3,(H,13,14,15)
InChIKeyOXOPYLMXRITKND-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.45
Rot. Bonds12

About 6-(3-ethoxypropylamino)hexane-1-sulfonic acid

6-(3-ethoxypropylamino)hexane-1-sulfonic acid (PubChem CID 151406312) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is 6-(3-ethoxypropylamino)hexane-1-sulfonic acid.

Molecular Properties

Compound Name6-(3-ethoxypropylamino)hexane-1-sulfonic acid
PubChem CID151406312
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC Name6-(3-ethoxypropylamino)hexane-1-sulfonic acid
SMILESCCOCCCNCCCCCCS(=O)(=O)O
InChIInChI=1S/C11H25NO4S/c1-2-16-10-7-9-12-8-5-3-4-6-11-17(13,14)15/h12H,2-11H2,1H3,(H,13,14,15)
InChIKeyOXOPYLMXRITKND-UHFFFAOYSA-N
XLogP1.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
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

5-ethoxypentane-1-sulfonic acid
CID 56995541
4-(3-ethoxypropylamino)butyl hydrogen sulfate
CID 153323851
bis[3-(3-ethoxypropylamino)propyl] sulfate
CID 155409951
5-(2-hydroxyethylamino)pentane-1-sulfonic acid
CID 20545792
7-ethoxy-N-propylheptan-1-amine
CID 163393813
3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine
CID 106513266
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
2-(decylamino)ethanesulfonic acid
CID 13089902
4-(17-aminoheptadecylamino)butane-1-sulfonic acid
CID 21316228
4-ethoxy-N-[2-(2-methylpropylsulfonyl)ethyl]butan-1-amine
CID 106512953
2-(3-ethoxypropylsulfanyl)ethanesulfonic acid
CID 118248625
N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
CID 62560492

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxypropylamino)hexane-1-sulfonic acid?
The IUPAC name of 6-(3-ethoxypropylamino)hexane-1-sulfonic acid (CID 151406312) is 6-(3-ethoxypropylamino)hexane-1-sulfonic acid.
What is the SMILES notation for 6-(3-ethoxypropylamino)hexane-1-sulfonic acid?
The canonical SMILES for 6-(3-ethoxypropylamino)hexane-1-sulfonic acid is CCOCCCNCCCCCCS(=O)(=O)O.
What is the InChIKey of 6-(3-ethoxypropylamino)hexane-1-sulfonic acid?
The InChIKey is OXOPYLMXRITKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-2-16-10-7-9-12-8-5-3-4-6-11-17(13,14)15/h12H,2-11H2,1H3,(H,13,14,15).
What are the key properties of 6-(3-ethoxypropylamino)hexane-1-sulfonic acid?
6-(3-ethoxypropylamino)hexane-1-sulfonic acid has a molecular weight of 267.39 g/mol, XLogP of 1.45, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxypropylamino)hexane-1-sulfonic acid is sourced from PubChem (CID 151406312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).