(1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]

C18H25NO4S — CID 10665640

IUPAC(1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]
SMILESCC[C@@]1(S(=O)(=O)c2ccccc2)C[C@H]2N(C)[C@@H]1CCC21OCCO1
InChIInChI=1S/C18H25NO4S/c1-3-17(24(20,21)14-7-5-4-6-8-14)13-16-18(22-11-12-23-18)10-9-15(17)19(16)2/h4-8,15-16H,3,9-13H2,1-2H3/t15-,16-,17-/m1/s1
InChIKeyPKZGQWJOANHPFP-BRWVUGGUSA-N
MW351.47 g/mol
LogP2.22
Rot. Bonds3

About (1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]

(1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] (PubChem CID 10665640) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is (1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Name(1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]
PubChem CID10665640
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name(1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]
SMILESCC[C@@]1(S(=O)(=O)c2ccccc2)C[C@H]2N(C)[C@@H]1CCC21OCCO1
InChIInChI=1S/C18H25NO4S/c1-3-17(24(20,21)14-7-5-4-6-8-14)13-16-18(22-11-12-23-18)10-9-15(17)19(16)2/h4-8,15-16H,3,9-13H2,1-2H3/t15-,16-,17-/m1/s1
InChIKeyPKZGQWJOANHPFP-BRWVUGGUSA-N
XLogP2.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of (1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] (CID 10665640) is (1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for (1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for (1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] is CC[C@@]1(S(=O)(=O)c2ccccc2)C[C@H]2N(C)[C@@H]1CCC21OCCO1.
What is the InChIKey of (1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
The InChIKey is PKZGQWJOANHPFP-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-3-17(24(20,21)14-7-5-4-6-8-14)13-16-18(22-11-12-23-18)10-9-15(17)19(16)2/h4-8,15-16H,3,9-13H2,1-2H3/t15-,16-,17-/m1/s1.
What are the key properties of (1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]?
(1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] has a molecular weight of 351.47 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-ethyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 10665640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).