9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane

C18H27NO5S — CID 91907728

IUPAC9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane
SMILESCOCCOC1CCOC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C18H27NO5S/c1-22-13-14-23-16-7-12-24-18(15-16)8-10-19(11-9-18)25(20,21)17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3
InChIKeySIZQDFGUUOSGQE-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.05
Rot. Bonds6

About 9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane

9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 91907728) has the molecular formula C18H27NO5S and a molecular weight of 369.48 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane
PubChem CID91907728
Molecular FormulaC18H27NO5S
Molecular Weight369.48 g/mol
Exact Mass369.16
IUPAC Name9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane
SMILESCOCCOC1CCOC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C18H27NO5S/c1-22-13-14-23-16-7-12-24-18(15-16)8-10-19(11-9-18)25(20,21)17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3
InChIKeySIZQDFGUUOSGQE-UHFFFAOYSA-N
XLogP2.05
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane 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 9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane (CID 91907728) is 9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane is COCCOC1CCOC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is SIZQDFGUUOSGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5S/c1-22-13-14-23-16-7-12-24-18(15-16)8-10-19(11-9-18)25(20,21)17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3.
What are the key properties of 9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane?
9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 369.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 91907728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).