1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione

C13H22N2O4S — CID 64631620

IUPAC1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione
SMILESCC(CS(C)(=O)=O)NC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C13H22N2O4S/c1-9(8-20(2,18)19)14-11-7-12(16)15(13(11)17)10-5-3-4-6-10/h9-11,14H,3-8H2,1-2H3
InChIKeySJWHQPBOYPZBGK-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.08
Rot. Bonds5

About 1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione

1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 64631620) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione
PubChem CID64631620
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione
SMILESCC(CS(C)(=O)=O)NC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C13H22N2O4S/c1-9(8-20(2,18)19)14-11-7-12(16)15(13(11)17)10-5-3-4-6-10/h9-11,14H,3-8H2,1-2H3
InChIKeySJWHQPBOYPZBGK-UHFFFAOYSA-N
XLogP0.08
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione (CID 64631620) is 1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione is CC(CS(C)(=O)=O)NC1CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione?
The InChIKey is SJWHQPBOYPZBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-9(8-20(2,18)19)14-11-7-12(16)15(13(11)17)10-5-3-4-6-10/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione?
1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 302.40 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 64631620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).