1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione

C14H18N2O4S2 — CID 113083144

IUPAC1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(S(=O)(=O)N2CCC(N3C(=O)CCC3=O)CC2)s1
InChIInChI=1S/C14H18N2O4S2/c1-10-2-5-14(21-10)22(19,20)15-8-6-11(7-9-15)16-12(17)3-4-13(16)18/h2,5,11H,3-4,6-9H2,1H3
InChIKeyPHYLRBRWZQDLEK-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.36
Rot. Bonds3

About 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione

1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione (PubChem CID 113083144) has the molecular formula C14H18N2O4S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
PubChem CID113083144
Molecular FormulaC14H18N2O4S2
Molecular Weight342.44 g/mol
Exact Mass342.07
IUPAC Name1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(S(=O)(=O)N2CCC(N3C(=O)CCC3=O)CC2)s1
InChIInChI=1S/C14H18N2O4S2/c1-10-2-5-14(21-10)22(19,20)15-8-6-11(7-9-15)16-12(17)3-4-13(16)18/h2,5,11H,3-4,6-9H2,1H3
InChIKeyPHYLRBRWZQDLEK-UHFFFAOYSA-N
XLogP1.36
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63595170
2-methyl-5-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole
CID 71780450
[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol
CID 71809863
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083123
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971533
(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993403
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444
3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
CID 119104587
1-(5-methylthiophen-2-yl)sulfonyl-4-(thiolan-3-yl)-1,4-diazepane
CID 134160708

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione (CID 113083144) is 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione is Cc1ccc(S(=O)(=O)N2CCC(N3C(=O)CCC3=O)CC2)s1.
What is the InChIKey of 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione?
The InChIKey is PHYLRBRWZQDLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S2/c1-10-2-5-14(21-10)22(19,20)15-8-6-11(7-9-15)16-12(17)3-4-13(16)18/h2,5,11H,3-4,6-9H2,1H3.
What are the key properties of 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione?
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione has a molecular weight of 342.44 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 113083144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).