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

C19H27NO4S — CID 5257705

IUPAC6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]
SMILESCCCC1(S(=O)(=O)c2ccccc2)CC2N(C)C1CCC21OCCO1
InChIInChI=1S/C19H27NO4S/c1-3-10-18(25(21,22)15-7-5-4-6-8-15)14-17-19(23-12-13-24-19)11-9-16(18)20(17)2/h4-8,16-17H,3,9-14H2,1-2H3
InChIKeyZWSPZVBJFUJPAT-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.61
Rot. Bonds4

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

6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] (PubChem CID 5257705) has the molecular formula C19H27NO4S and a molecular weight of 365.50 g/mol. Its IUPAC name is 6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Name6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]
PubChem CID5257705
Molecular FormulaC19H27NO4S
Molecular Weight365.50 g/mol
Exact Mass365.17
IUPAC Name6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]
SMILESCCCC1(S(=O)(=O)c2ccccc2)CC2N(C)C1CCC21OCCO1
InChIInChI=1S/C19H27NO4S/c1-3-10-18(25(21,22)15-7-5-4-6-8-15)14-17-19(23-12-13-24-19)11-9-16(18)20(17)2/h4-8,16-17H,3,9-14H2,1-2H3
InChIKeyZWSPZVBJFUJPAT-UHFFFAOYSA-N
XLogP2.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of 6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] (CID 5257705) is 6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for 6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for 6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] is CCCC1(S(=O)(=O)c2ccccc2)CC2N(C)C1CCC21OCCO1.
What is the InChIKey of 6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
The InChIKey is ZWSPZVBJFUJPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S/c1-3-10-18(25(21,22)15-7-5-4-6-8-15)14-17-19(23-12-13-24-19)11-9-16(18)20(17)2/h4-8,16-17H,3,9-14H2,1-2H3.
What are the key properties of 6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] has a molecular weight of 365.50 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(benzenesulfonyl)-8'-methyl-6'-propylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 5257705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).