8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C19H24N2O6S3 — CID 16830289

IUPAC8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N2O6S3/c1-15-5-6-16(26-2)17(14-15)29(22,23)20-9-7-19(8-10-20)21(11-12-27-19)30(24,25)18-4-3-13-28-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyTUGLRKWACXUSIH-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.27
Rot. Bonds5

About 8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16830289) has the molecular formula C19H24N2O6S3 and a molecular weight of 472.61 g/mol. Its IUPAC name is 8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16830289
Molecular FormulaC19H24N2O6S3
Molecular Weight472.61 g/mol
Exact Mass472.08
IUPAC Name8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N2O6S3/c1-15-5-6-16(26-2)17(14-15)29(22,23)20-9-7-19(8-10-20)21(11-12-27-19)30(24,25)18-4-3-13-28-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyTUGLRKWACXUSIH-UHFFFAOYSA-N
XLogP2.27
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 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 8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16830289) is 8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1.
What is the InChIKey of 8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is TUGLRKWACXUSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S3/c1-15-5-6-16(26-2)17(14-15)29(22,23)20-9-7-19(8-10-20)21(11-12-27-19)30(24,25)18-4-3-13-28-18/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 472.61 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxy-5-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16830289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).