1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione

C14H17NO3S — CID 79505869

IUPAC1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
SMILESCc1cc(C(=O)CN2C(=O)CC(C)CC2=O)c(C)s1
InChIInChI=1S/C14H17NO3S/c1-8-4-13(17)15(14(18)5-8)7-12(16)11-6-9(2)19-10(11)3/h6,8H,4-5,7H2,1-3H3
InChIKeyIYBNOUDPEQDWMD-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.33
Rot. Bonds3

About 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione

1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione (PubChem CID 79505869) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
PubChem CID79505869
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
SMILESCc1cc(C(=O)CN2C(=O)CC(C)CC2=O)c(C)s1
InChIInChI=1S/C14H17NO3S/c1-8-4-13(17)15(14(18)5-8)7-12(16)11-6-9(2)19-10(11)3/h6,8H,4-5,7H2,1-3H3
InChIKeyIYBNOUDPEQDWMD-UHFFFAOYSA-N
XLogP2.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62023077
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 9373125
4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione
CID 62024021
3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835302
1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506746
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053004
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one
CID 62023560
4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64694097
4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
CID 63748455
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 115560586
1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506256
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione (CID 79505869) is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione is Cc1cc(C(=O)CN2C(=O)CC(C)CC2=O)c(C)s1.
What is the InChIKey of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The InChIKey is IYBNOUDPEQDWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-8-4-13(17)15(14(18)5-8)7-12(16)11-6-9(2)19-10(11)3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione has a molecular weight of 279.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79505869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).