2-(6-aminohexylsulfonyl)ethanol

C8H19NO3S — CID 170917653

IUPAC2-(6-aminohexylsulfonyl)ethanol
SMILESNCCCCCCS(=O)(=O)CCO
InChIInChI=1S/C8H19NO3S/c9-5-3-1-2-4-7-13(11,12)8-6-10/h10H,1-9H2
InChIKeyUJILEONTLOIPIA-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.09
Rot. Bonds8

About 2-(6-aminohexylsulfonyl)ethanol

2-(6-aminohexylsulfonyl)ethanol (PubChem CID 170917653) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(6-aminohexylsulfonyl)ethanol.

Molecular Properties

Compound Name2-(6-aminohexylsulfonyl)ethanol
PubChem CID170917653
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name2-(6-aminohexylsulfonyl)ethanol
SMILESNCCCCCCS(=O)(=O)CCO
InChIInChI=1S/C8H19NO3S/c9-5-3-1-2-4-7-13(11,12)8-6-10/h10H,1-9H2
InChIKeyUJILEONTLOIPIA-UHFFFAOYSA-N
XLogP-0.09
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-aminopentylsulfonyl)propan-1-ol
CID 170915360
5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
CID 170915824
5-ethylsulfonylpentan-1-amine
CID 54172156
7-(7-hydroxyheptylsulfonyl)heptan-1-ol
CID 151404373
5-butylsulfonylpentan-1-amine
CID 64698649
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
4-(4-hydroxybutylsulfonyl)butan-1-ol
CID 14454817
5-(3-methylbutylsulfonyl)pentan-1-amine
CID 107767380
5-prop-2-enylsulfonylpentan-1-amine
CID 87785063
3-(2-fluoroethylsulfonyl)propan-1-amine
CID 58684365
5-ethylsulfonylpentan-1-ol
CID 62353355
9-methylsulfonylnonan-1-amine
CID 101417644

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexylsulfonyl)ethanol?
The IUPAC name of 2-(6-aminohexylsulfonyl)ethanol (CID 170917653) is 2-(6-aminohexylsulfonyl)ethanol.
What is the SMILES notation for 2-(6-aminohexylsulfonyl)ethanol?
The canonical SMILES for 2-(6-aminohexylsulfonyl)ethanol is NCCCCCCS(=O)(=O)CCO.
What is the InChIKey of 2-(6-aminohexylsulfonyl)ethanol?
The InChIKey is UJILEONTLOIPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c9-5-3-1-2-4-7-13(11,12)8-6-10/h10H,1-9H2.
What are the key properties of 2-(6-aminohexylsulfonyl)ethanol?
2-(6-aminohexylsulfonyl)ethanol has a molecular weight of 209.31 g/mol, XLogP of -0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexylsulfonyl)ethanol is sourced from PubChem (CID 170917653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).