6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]

C17H23NO4S — CID 5257704

IUPAC6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]
SMILESCN1C2CC(C)(S(=O)(=O)c3ccccc3)C1CCC21OCCO1
InChIInChI=1S/C17H23NO4S/c1-16(23(19,20)13-6-4-3-5-7-13)12-15-17(21-10-11-22-17)9-8-14(16)18(15)2/h3-7,14-15H,8-12H2,1-2H3
InChIKeyHBCGKQLMMVXZHN-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.83
Rot. Bonds2

About 6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]

6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] (PubChem CID 5257704) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is 6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Name6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]
PubChem CID5257704
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]
SMILESCN1C2CC(C)(S(=O)(=O)c3ccccc3)C1CCC21OCCO1
InChIInChI=1S/C17H23NO4S/c1-16(23(19,20)13-6-4-3-5-7-13)12-15-17(21-10-11-22-17)9-8-14(16)18(15)2/h3-7,14-15H,8-12H2,1-2H3
InChIKeyHBCGKQLMMVXZHN-UHFFFAOYSA-N
XLogP1.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of 6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] (CID 5257704) is 6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for 6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for 6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] is CN1C2CC(C)(S(=O)(=O)c3ccccc3)C1CCC21OCCO1.
What is the InChIKey of 6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
The InChIKey is HBCGKQLMMVXZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-16(23(19,20)13-6-4-3-5-7-13)12-15-17(21-10-11-22-17)9-8-14(16)18(15)2/h3-7,14-15H,8-12H2,1-2H3.
What are the key properties of 6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] has a molecular weight of 337.44 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(benzenesulfonyl)-6',8'-dimethylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 5257704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).