ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione

C20H35NO2S — CID 145169692

IUPACethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione
SMILESCC.CC.CC1CC(=O)N(c2ccccc2)C1=O.CSC(C)(C)C
InChIInChI=1S/C11H11NO2.C5H12S.2C2H6/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9;1-5(2,3)6-4;2*1-2/h2-6,8H,7H2,1H3;1-4H3;2*1-2H3
InChIKeyWXFKELLQYWWBTO-UHFFFAOYSA-N
MW353.57 g/mol
LogP5.79
Rot. Bonds1

About ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione

ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 145169692) has the molecular formula C20H35NO2S and a molecular weight of 353.57 g/mol. Its IUPAC name is ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione
PubChem CID145169692
Molecular FormulaC20H35NO2S
Molecular Weight353.57 g/mol
Exact Mass353.24
IUPAC Nameethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione
SMILESCC.CC.CC1CC(=O)N(c2ccccc2)C1=O.CSC(C)(C)C
InChIInChI=1S/C11H11NO2.C5H12S.2C2H6/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9;1-5(2,3)6-4;2*1-2/h2-6,8H,7H2,1H3;1-4H3;2*1-2H3
InChIKeyWXFKELLQYWWBTO-UHFFFAOYSA-N
XLogP5.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione 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

(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 7026148
1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
1-(3-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
CID 61037815
(3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione
CID 134861752
1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione
CID 61036556
4-methyl-1,2-diphenyldiazinane-3,6-dione
CID 117066425
5-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 61037053
2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 65345446
2-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 54905077
(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 138974226
4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 7829632

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione (CID 145169692) is ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione is CC.CC.CC1CC(=O)N(c2ccccc2)C1=O.CSC(C)(C)C.
What is the InChIKey of ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is WXFKELLQYWWBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C5H12S.2C2H6/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9;1-5(2,3)6-4;2*1-2/h2-6,8H,7H2,1H3;1-4H3;2*1-2H3.
What are the key properties of ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione?
ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 353.57 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 145169692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).