3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione

C14H16N2O2S — CID 43638572

IUPAC3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione
SMILESCc1ccc(SC2CC(=O)N(C3CC3)C2=O)c(N)c1
InChIInChI=1S/C14H16N2O2S/c1-8-2-5-11(10(15)6-8)19-12-7-13(17)16(14(12)18)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3
InChIKeyUKDCXSVPUZYSFE-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.96
Rot. Bonds3

About 3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione

3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione (PubChem CID 43638572) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione
PubChem CID43638572
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione
SMILESCc1ccc(SC2CC(=O)N(C3CC3)C2=O)c(N)c1
InChIInChI=1S/C14H16N2O2S/c1-8-2-5-11(10(15)6-8)19-12-7-13(17)16(14(12)18)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3
InChIKeyUKDCXSVPUZYSFE-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione (CID 43638572) is 3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione is Cc1ccc(SC2CC(=O)N(C3CC3)C2=O)c(N)c1.
What is the InChIKey of 3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione?
The InChIKey is UKDCXSVPUZYSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-8-2-5-11(10(15)6-8)19-12-7-13(17)16(14(12)18)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3.
What are the key properties of 3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione?
3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione has a molecular weight of 276.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).