7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

C17H24N2O3S — CID 131659144

IUPAC7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCS(=O)(=O)N1CCC2(CCN(Cc3cccc(C)c3)C2=O)C1
InChIInChI=1S/C17H24N2O3S/c1-3-23(21,22)19-10-8-17(13-19)7-9-18(16(17)20)12-15-6-4-5-14(2)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3
InChIKeyILUSXYXJSRPYGR-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.77
Rot. Bonds4

About 7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131659144) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131659144
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCS(=O)(=O)N1CCC2(CCN(Cc3cccc(C)c3)C2=O)C1
InChIInChI=1S/C17H24N2O3S/c1-3-23(21,22)19-10-8-17(13-19)7-9-18(16(17)20)12-15-6-4-5-14(2)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3
InChIKeyILUSXYXJSRPYGR-UHFFFAOYSA-N
XLogP1.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-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

(5S)-7-ethylsulfonyl-2-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451697
2-[(3-methylphenyl)methyl]-9-methylsulfonyl-2,9-diazaspiro[4.6]undecan-1-one
CID 131640564
8-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 98896280
(5R)-2-[(3-fluorophenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451647
(5R)-2-[(3-methylphenyl)methyl]-7-(2-methylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451547
(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97385757
(5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451540
(5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451552
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373826
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
2-[(3-methylphenyl)methyl]-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118744004
2-[(3-methylphenyl)methyl]-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131642620

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 131659144) is 7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is CCS(=O)(=O)N1CCC2(CCN(Cc3cccc(C)c3)C2=O)C1.
What is the InChIKey of 7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is ILUSXYXJSRPYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-23(21,22)19-10-8-17(13-19)7-9-18(16(17)20)12-15-6-4-5-14(2)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3.
What are the key properties of 7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 336.46 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131659144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).