(1-pentylsulfonylpiperidin-3-yl)methanol

C11H23NO3S — CID 69328297

IUPAC(1-pentylsulfonylpiperidin-3-yl)methanol
SMILESCCCCCS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H23NO3S/c1-2-3-4-8-16(14,15)12-7-5-6-11(9-12)10-13/h11,13H,2-10H2,1H3
InChIKeyUGRORZJSODEBSN-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.21
Rot. Bonds6

About (1-pentylsulfonylpiperidin-3-yl)methanol

(1-pentylsulfonylpiperidin-3-yl)methanol (PubChem CID 69328297) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (1-pentylsulfonylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-pentylsulfonylpiperidin-3-yl)methanol
PubChem CID69328297
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name(1-pentylsulfonylpiperidin-3-yl)methanol
SMILESCCCCCS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H23NO3S/c1-2-3-4-8-16(14,15)12-7-5-6-11(9-12)10-13/h11,13H,2-10H2,1H3
InChIKeyUGRORZJSODEBSN-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.21
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 (1-pentylsulfonylpiperidin-3-yl)methanol?
The IUPAC name of (1-pentylsulfonylpiperidin-3-yl)methanol (CID 69328297) is (1-pentylsulfonylpiperidin-3-yl)methanol.
What is the SMILES notation for (1-pentylsulfonylpiperidin-3-yl)methanol?
The canonical SMILES for (1-pentylsulfonylpiperidin-3-yl)methanol is CCCCCS(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of (1-pentylsulfonylpiperidin-3-yl)methanol?
The InChIKey is UGRORZJSODEBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-3-4-8-16(14,15)12-7-5-6-11(9-12)10-13/h11,13H,2-10H2,1H3.
What are the key properties of (1-pentylsulfonylpiperidin-3-yl)methanol?
(1-pentylsulfonylpiperidin-3-yl)methanol has a molecular weight of 249.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentylsulfonylpiperidin-3-yl)methanol is sourced from PubChem (CID 69328297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).