6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol

C12H25NO3S — CID 155458511

IUPAC6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol
SMILESCC1CCN(S(=O)(=O)CCCCCCO)CC1
InChIInChI=1S/C12H25NO3S/c1-12-6-8-13(9-7-12)17(15,16)11-5-3-2-4-10-14/h12,14H,2-11H2,1H3
InChIKeyHJIPLYUJNBLTGQ-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.60
Rot. Bonds7

About 6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol

6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol (PubChem CID 155458511) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol
PubChem CID155458511
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol
SMILESCC1CCN(S(=O)(=O)CCCCCCO)CC1
InChIInChI=1S/C12H25NO3S/c1-12-6-8-13(9-7-12)17(15,16)11-5-3-2-4-10-14/h12,14H,2-11H2,1H3
InChIKeyHJIPLYUJNBLTGQ-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol?
The IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol (CID 155458511) is 6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol is CC1CCN(S(=O)(=O)CCCCCCO)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol?
The InChIKey is HJIPLYUJNBLTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-12-6-8-13(9-7-12)17(15,16)11-5-3-2-4-10-14/h12,14H,2-11H2,1H3.
What are the key properties of 6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol?
6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol has a molecular weight of 263.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)sulfonylhexan-1-ol is sourced from PubChem (CID 155458511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).