1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione

C10H18N2O2S — CID 66230891

IUPAC1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione
SMILESCC(C)(N)CSCCN1C(=O)CCC1=O
InChIInChI=1S/C10H18N2O2S/c1-10(2,11)7-15-6-5-12-8(13)3-4-9(12)14/h3-7,11H2,1-2H3
InChIKeyFJCCGCDYCWHARZ-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.61
Rot. Bonds5

About 1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione

1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione (PubChem CID 66230891) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione
PubChem CID66230891
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione
SMILESCC(C)(N)CSCCN1C(=O)CCC1=O
InChIInChI=1S/C10H18N2O2S/c1-10(2,11)7-15-6-5-12-8(13)3-4-9(12)14/h3-7,11H2,1-2H3
InChIKeyFJCCGCDYCWHARZ-UHFFFAOYSA-N
XLogP0.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione (CID 66230891) is 1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione is CC(C)(N)CSCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione?
The InChIKey is FJCCGCDYCWHARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(2,11)7-15-6-5-12-8(13)3-4-9(12)14/h3-7,11H2,1-2H3.
What are the key properties of 1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione?
1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione has a molecular weight of 230.33 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 66230891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).