6-aminohexane-1-sulfonic acid

C6H15NO3S — CID 11480823

IUPAC6-aminohexane-1-sulfonic acid
SMILESNCCCCCCS(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c7-5-3-1-2-4-6-11(8,9)10/h1-7H2,(H,8,9,10)
InChIKeyKIDCLLZBQFQFAZ-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.39
Rot. Bonds6

About 6-aminohexane-1-sulfonic acid

6-aminohexane-1-sulfonic acid (PubChem CID 11480823) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 6-aminohexane-1-sulfonic acid.

Molecular Properties

Compound Name6-aminohexane-1-sulfonic acid
PubChem CID11480823
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name6-aminohexane-1-sulfonic acid
SMILESNCCCCCCS(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c7-5-3-1-2-4-6-11(8,9)10/h1-7H2,(H,8,9,10)
InChIKeyKIDCLLZBQFQFAZ-UHFFFAOYSA-N
XLogP0.39
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
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

Tramiprosate
CID 1646
5-Aminopentanesulfonic acid
CID 169850
Thiosulfuric acid (H2S2O3), S-(6-aminohexyl) ester
CID 30753
1-Pentanethiol, 5-amino-, hydrogen sulfate
CID 210810
1-Amino-1-butanesulfonic acid
CID 344577
4-Aminobutanesulfonic acid
CID 3014806
(1R,2S)-2-aminocyclopentane-1-sulfonic acid
CID 5275675
2-Aminocyclohexanesulfonic acid
CID 152154
2-Aminocyclopentanesulfonic acid
CID 194867
Trans-2-aminocyclohexanesulfonic acid
CID 15881493
cis-2-Aminocyclohexanesulfonic acid
CID 54105826
10-Aminodecanesulfonic acid
CID 10354160

Frequently Asked Questions

What is the IUPAC name of 6-aminohexane-1-sulfonic acid?
The IUPAC name of 6-aminohexane-1-sulfonic acid (CID 11480823) is 6-aminohexane-1-sulfonic acid.
What is the SMILES notation for 6-aminohexane-1-sulfonic acid?
The canonical SMILES for 6-aminohexane-1-sulfonic acid is NCCCCCCS(=O)(=O)O.
What is the InChIKey of 6-aminohexane-1-sulfonic acid?
The InChIKey is KIDCLLZBQFQFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c7-5-3-1-2-4-6-11(8,9)10/h1-7H2,(H,8,9,10).
What are the key properties of 6-aminohexane-1-sulfonic acid?
6-aminohexane-1-sulfonic acid has a molecular weight of 181.26 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexane-1-sulfonic acid is sourced from PubChem (CID 11480823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).