2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one

C18H20N2O3S2 — CID 118738800

IUPAC2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1cccc(N2CC3(CCN(S(=O)(=O)c4cccs4)C3)CC2=O)c1
InChIInChI=1S/C18H20N2O3S2/c1-14-4-2-5-15(10-14)20-13-18(11-16(20)21)7-8-19(12-18)25(22,23)17-6-3-9-24-17/h2-6,9-10H,7-8,11-13H2,1H3
InChIKeyWDRZARPRLKNFOR-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.87
Rot. Bonds3

About 2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one

2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118738800) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118738800
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1cccc(N2CC3(CCN(S(=O)(=O)c4cccs4)C3)CC2=O)c1
InChIInChI=1S/C18H20N2O3S2/c1-14-4-2-5-15(10-14)20-13-18(11-16(20)21)7-8-19(12-18)25(22,23)17-6-3-9-24-17/h2-6,9-10H,7-8,11-13H2,1H3
InChIKeyWDRZARPRLKNFOR-UHFFFAOYSA-N
XLogP2.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 4785262
N-(5-oxo-1-(p-tolyl)pyrrolidin-3-yl)thiophene-2-sulfonamide
CID 16822399
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 15989410
N-(3-methylphenyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2329268
N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2329041
2-Methyl-1-[3-(thien-2-ylsulfonyl)propanoyl]indoline
CID 3237981
2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 16822412
2-(3-Fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118738801
N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739321

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one (CID 118738800) is 2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one is Cc1cccc(N2CC3(CCN(S(=O)(=O)c4cccs4)C3)CC2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is WDRZARPRLKNFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-14-4-2-5-15(10-14)20-13-18(11-16(20)21)7-8-19(12-18)25(22,23)17-6-3-9-24-17/h2-6,9-10H,7-8,11-13H2,1H3.
What are the key properties of 2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 376.50 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118738800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).