8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

C11H21NO4S — CID 63763520

IUPAC8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOCCCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H21NO4S/c1-16-5-2-6-17(14,15)12-9-3-4-10(12)8-11(13)7-9/h9-11,13H,2-8H2,1H3
InChIKeyNZWOSRDAHLTVGQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.34
Rot. Bonds5

About 8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763520) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763520
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOCCCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H21NO4S/c1-16-5-2-6-17(14,15)12-9-3-4-10(12)8-11(13)7-9/h9-11,13H,2-8H2,1H3
InChIKeyNZWOSRDAHLTVGQ-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63763520) is 8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is COCCCS(=O)(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NZWOSRDAHLTVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-16-5-2-6-17(14,15)12-9-3-4-10(12)8-11(13)7-9/h9-11,13H,2-8H2,1H3.
What are the key properties of 8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 263.36 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxypropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).