hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten

C7H15NO4SW — CID 59075951

IUPAChydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten
SMILESCN1CCCC[C@H]1C(O)S(=O)(=O)O.[W]
InChIInChI=1S/C7H15NO4S.W/c1-8-5-3-2-4-6(8)7(9)13(10,11)12;/h6-7,9H,2-5H2,1H3,(H,10,11,12);/t6-,7?;/m0./s1
InChIKeyTXNBAAOXDZJSBN-OXIGJRIQSA-N
MW393.11 g/mol
LogP-0.33
Rot. Bonds2

About hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten

hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten (PubChem CID 59075951) has the molecular formula C7H15NO4SW and a molecular weight of 393.11 g/mol. Its IUPAC name is hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten.

Molecular Properties

Compound Namehydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten
PubChem CID59075951
Molecular FormulaC7H15NO4SW
Molecular Weight393.11 g/mol
Exact Mass393.02
IUPAC Namehydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten
SMILESCN1CCCC[C@H]1C(O)S(=O)(=O)O.[W]
InChIInChI=1S/C7H15NO4S.W/c1-8-5-3-2-4-6(8)7(9)13(10,11)12;/h6-7,9H,2-5H2,1H3,(H,10,11,12);/t6-,7?;/m0./s1
InChIKeyTXNBAAOXDZJSBN-OXIGJRIQSA-N
XLogP-0.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.11
LogP ≤ 5-0.33
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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Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten?
The IUPAC name of hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten (CID 59075951) is hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten.
What is the SMILES notation for hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten?
The canonical SMILES for hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten is CN1CCCC[C@H]1C(O)S(=O)(=O)O.[W].
What is the InChIKey of hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten?
The InChIKey is TXNBAAOXDZJSBN-OXIGJRIQSA-N. The full InChI is InChI=1S/C7H15NO4S.W/c1-8-5-3-2-4-6(8)7(9)13(10,11)12;/h6-7,9H,2-5H2,1H3,(H,10,11,12);/t6-,7?;/m0./s1.
What are the key properties of hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten?
hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten has a molecular weight of 393.11 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten is sourced from PubChem (CID 59075951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).