2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine

C14H17NS — CID 134255778

IUPAC2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine
SMILESC=C1CC(SC)C(=C)N1c1ccc(C)cc1
InChIInChI=1S/C14H17NS/c1-10-5-7-13(8-6-10)15-11(2)9-14(16-4)12(15)3/h5-8,14H,2-3,9H2,1,4H3
InChIKeyGJDRHCUGPJXUGD-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.96
Rot. Bonds2

About 2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine

2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine (PubChem CID 134255778) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine
PubChem CID134255778
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine
SMILESC=C1CC(SC)C(=C)N1c1ccc(C)cc1
InChIInChI=1S/C14H17NS/c1-10-5-7-13(8-6-10)15-11(2)9-14(16-4)12(15)3/h5-8,14H,2-3,9H2,1,4H3
InChIKeyGJDRHCUGPJXUGD-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,7aR)-5,6-dimethyl-2-(4-methylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6951465
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
(1S,5S)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100139
(1R,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100138
1-(4-methylphenyl)piperazine-2,6-dione
CID 82112672
(3aS,4S,7S,7aR)-4,7-dimethyl-2-(4-methylphenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 50897642
(3aS,4R,7R,7aS)-4,7-dimethyl-2-(4-methylphenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721915
5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 170744826
2-[4-(4-methylphenyl)sulfanylphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4283372
(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
3-benzylsulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2888961
(3S)-3-benzylsulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 875245

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine?
The IUPAC name of 2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine (CID 134255778) is 2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine.
What is the SMILES notation for 2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine?
The canonical SMILES for 2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine is C=C1CC(SC)C(=C)N1c1ccc(C)cc1.
What is the InChIKey of 2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine?
The InChIKey is GJDRHCUGPJXUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-5-7-13(8-6-10)15-11(2)9-14(16-4)12(15)3/h5-8,14H,2-3,9H2,1,4H3.
What are the key properties of 2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine?
2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine has a molecular weight of 231.36 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylidene-1-(4-methylphenyl)-3-methylsulfanylpyrrolidine is sourced from PubChem (CID 134255778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).