(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate

C24H34N2O8S — CID 134600083

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate
SMILESCC(=O)C(C)(C)OCCCSC1CC(=O)N(CC2CCC(C(=O)ON3C(=O)CCC3=O)CC2)C1=O
InChIInChI=1S/C24H34N2O8S/c1-15(27)24(2,3)33-11-4-12-35-18-13-21(30)25(22(18)31)14-16-5-7-17(8-6-16)23(32)34-26-19(28)9-10-20(26)29/h16-18H,4-14H2,1-3H3
InChIKeyVUWQPYNGSZIJMT-UHFFFAOYSA-N
MW510.61 g/mol
LogP2.04
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate (PubChem CID 134600083) has the molecular formula C24H34N2O8S and a molecular weight of 510.61 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate
PubChem CID134600083
Molecular FormulaC24H34N2O8S
Molecular Weight510.61 g/mol
Exact Mass510.20
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate
SMILESCC(=O)C(C)(C)OCCCSC1CC(=O)N(CC2CCC(C(=O)ON3C(=O)CCC3=O)CC2)C1=O
InChIInChI=1S/C24H34N2O8S/c1-15(27)24(2,3)33-11-4-12-35-18-13-21(30)25(22(18)31)14-16-5-7-17(8-6-16)23(32)34-26-19(28)9-10-20(26)29/h16-18H,4-14H2,1-3H3
InChIKeyVUWQPYNGSZIJMT-UHFFFAOYSA-N
XLogP2.04
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.61
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 (2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate (CID 134600083) is (2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate is CC(=O)C(C)(C)OCCCSC1CC(=O)N(CC2CCC(C(=O)ON3C(=O)CCC3=O)CC2)C1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate?
The InChIKey is VUWQPYNGSZIJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O8S/c1-15(27)24(2,3)33-11-4-12-35-18-13-21(30)25(22(18)31)14-16-5-7-17(8-6-16)23(32)34-26-19(28)9-10-20(26)29/h16-18H,4-14H2,1-3H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate has a molecular weight of 510.61 g/mol, XLogP of 2.04, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-(2-methyl-3-oxobutan-2-yl)oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 134600083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).