methanesulfonic acid;2-piperidin-1-ylethanol

C8H19NO4S — CID 88681300

IUPACmethanesulfonic acid;2-piperidin-1-ylethanol
SMILESCS(=O)(=O)O.OCCN1CCCCC1
InChIInChI=1S/C7H15NO.CH4O3S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h9H,1-7H2;1H3,(H,2,3,4)
InChIKeyIORZNYNSOYOQJI-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.03
Rot. Bonds2

About methanesulfonic acid;2-piperidin-1-ylethanol

methanesulfonic acid;2-piperidin-1-ylethanol (PubChem CID 88681300) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is methanesulfonic acid;2-piperidin-1-ylethanol.

Molecular Properties

Compound Namemethanesulfonic acid;2-piperidin-1-ylethanol
PubChem CID88681300
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC Namemethanesulfonic acid;2-piperidin-1-ylethanol
SMILESCS(=O)(=O)O.OCCN1CCCCC1
InChIInChI=1S/C7H15NO.CH4O3S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h9H,1-7H2;1H3,(H,2,3,4)
InChIKeyIORZNYNSOYOQJI-UHFFFAOYSA-N
XLogP-0.03
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-Fluoropiperidin-1-yl)ethyl methanesulfonate
CID 147354686
2-[(3S)-3-fluoropiperidin-1-yl]ethyl methanesulfonate
CID 156310210
2-Hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid
CID 11816931
Hexyl-bis(2-hydroxyethyl)-(3-sulfopropyl)azanium
CID 18689241
5-[Bis(2-hydroxyethyl)amino]pentane-1-sulfonic acid
CID 20545777
2-Hydroxy-3-(4-hydroxypiperidin-1-yl)propane-1-sulfonic acid
CID 20677913
2-Hydroxyethyl-dimethyl-octylazanium;methanesulfonate
CID 22678985
2-Piperidin-1-ylethyl methanesulfonate
CID 44626921
[Decyl(2-hydroxyethyl)amino]methanesulfonic acid
CID 53847345
2-[Methyl-(1-methylsulfonylpiperidin-4-yl)amino]ethanol
CID 84058283
1-[Butyl(1-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 87203610
Ethanesulfonic acid;2-piperidin-1-ylethanol
CID 87451337

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;2-piperidin-1-ylethanol?
The IUPAC name of methanesulfonic acid;2-piperidin-1-ylethanol (CID 88681300) is methanesulfonic acid;2-piperidin-1-ylethanol.
What is the SMILES notation for methanesulfonic acid;2-piperidin-1-ylethanol?
The canonical SMILES for methanesulfonic acid;2-piperidin-1-ylethanol is CS(=O)(=O)O.OCCN1CCCCC1.
What is the InChIKey of methanesulfonic acid;2-piperidin-1-ylethanol?
The InChIKey is IORZNYNSOYOQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.CH4O3S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h9H,1-7H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2-piperidin-1-ylethanol?
methanesulfonic acid;2-piperidin-1-ylethanol has a molecular weight of 225.31 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2-piperidin-1-ylethanol is sourced from PubChem (CID 88681300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).