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

C18H20N2O3S2 — CID 118739667

IUPAC2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccccc1N1CC2(CCN(S(=O)(=O)c3cccs3)C2)CC1=O
InChIInChI=1S/C18H20N2O3S2/c1-14-5-2-3-6-15(14)20-13-18(11-16(20)21)8-9-19(12-18)25(22,23)17-7-4-10-24-17/h2-7,10H,8-9,11-13H2,1H3
InChIKeyRJNDRMNYMQNXIR-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.87
Rot. Bonds3

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

2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118739667) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118739667
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccccc1N1CC2(CCN(S(=O)(=O)c3cccs3)C2)CC1=O
InChIInChI=1S/C18H20N2O3S2/c1-14-5-2-3-6-15(14)20-13-18(11-16(20)21)8-9-19(12-18)25(22,23)17-7-4-10-24-17/h2-7,10H,8-9,11-13H2,1H3
InChIKeyRJNDRMNYMQNXIR-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

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055
2,3-dihydro-1H-indol-1-yl[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]methanone
CID 621938
2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2-thiophenecarboxamide
CID 3239710
N-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 3245390
N-(5-oxo-1-(p-tolyl)pyrrolidin-3-yl)thiophene-2-sulfonamide
CID 16822399
N-(2-methylphenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 1541674
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-sulfonamide
CID 16030889
N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2329041
2-Methyl-1-[3-(thien-2-ylsulfonyl)propanoyl]indoline
CID 3237981
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 16232602
2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one (CID 118739667) is 2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccccc1N1CC2(CCN(S(=O)(=O)c3cccs3)C2)CC1=O.
What is the InChIKey of 2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is RJNDRMNYMQNXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-14-5-2-3-6-15(14)20-13-18(11-16(20)21)8-9-19(12-18)25(22,23)17-7-4-10-24-17/h2-7,10H,8-9,11-13H2,1H3.
What are the key properties of 2-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
2-(2-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-(2-methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118739667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).