[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium

C18H24NO4S+ — CID 143652418

IUPAC[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium
SMILESCC(C)[S+](c1cccc(CC(=O)ON2C(=O)CCC2=O)c1)C(C)C
InChIInChI=1S/C18H24NO4S/c1-12(2)24(13(3)4)15-7-5-6-14(10-15)11-18(22)23-19-16(20)8-9-17(19)21/h5-7,10,12-13H,8-9,11H2,1-4H3/q+1
InChIKeyFOFLAYNVYYROKZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.63
Rot. Bonds6

About [3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium

[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium (PubChem CID 143652418) has the molecular formula C18H24NO4S+ and a molecular weight of 350.46 g/mol. Its IUPAC name is [3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium.

Molecular Properties

Compound Name[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium
PubChem CID143652418
Molecular FormulaC18H24NO4S+
Molecular Weight350.46 g/mol
Exact Mass350.14
IUPAC Name[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium
SMILESCC(C)[S+](c1cccc(CC(=O)ON2C(=O)CCC2=O)c1)C(C)C
InChIInChI=1S/C18H24NO4S/c1-12(2)24(13(3)4)15-7-5-6-14(10-15)11-18(22)23-19-16(20)8-9-17(19)21/h5-7,10,12-13H,8-9,11H2,1-4H3/q+1
InChIKeyFOFLAYNVYYROKZ-UHFFFAOYSA-N
XLogP2.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
CID 19969059
(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid
CID 159788892
(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate
CID 176648871
(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate
CID 167094493
(2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate
CID 11732990
(2,5-dioxopyrrolidin-1-yl) 2-[4-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]phenyl]acetate
CID 146639752
(2,5-dioxopyrrolidin-1-yl) 3,3-dimethyl-4-phenylmethoxybutanoate
CID 122360016
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 2-(4-iodophenyl)acetate;1-hydroxypyrrolidine-2,5-dione;2-(4-iodophenyl)acetic acid
CID 159043803
(2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate
CID 155271019
(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 13421299
benzyl N-[(1S)-1-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-3-methylbutyl]carbamate
CID 135802805

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium?
The IUPAC name of [3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium (CID 143652418) is [3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium.
What is the SMILES notation for [3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium?
The canonical SMILES for [3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium is CC(C)[S+](c1cccc(CC(=O)ON2C(=O)CCC2=O)c1)C(C)C.
What is the InChIKey of [3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium?
The InChIKey is FOFLAYNVYYROKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO4S/c1-12(2)24(13(3)4)15-7-5-6-14(10-15)11-18(22)23-19-16(20)8-9-17(19)21/h5-7,10,12-13H,8-9,11H2,1-4H3/q+1.
What are the key properties of [3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium?
[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium has a molecular weight of 350.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium is sourced from PubChem (CID 143652418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).