3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione

C10H13N3O4S2 — CID 129044766

IUPAC3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione
SMILESCN(SC1CC(=O)NC1=O)SC1CC(=O)N(C)C1=O
InChIInChI=1S/C10H13N3O4S2/c1-12-8(15)4-6(10(12)17)19-13(2)18-5-3-7(14)11-9(5)16/h5-6H,3-4H2,1-2H3,(H,11,14,16)
InChIKeySTNAYYAUYNYCJH-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.61
Rot. Bonds4

About 3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione

3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione (PubChem CID 129044766) has the molecular formula C10H13N3O4S2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione
PubChem CID129044766
Molecular FormulaC10H13N3O4S2
Molecular Weight303.37 g/mol
Exact Mass303.03
IUPAC Name3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione
SMILESCN(SC1CC(=O)NC1=O)SC1CC(=O)N(C)C1=O
InChIInChI=1S/C10H13N3O4S2/c1-12-8(15)4-6(10(12)17)19-13(2)18-5-3-7(14)11-9(5)16/h5-6H,3-4H2,1-2H3,(H,11,14,16)
InChIKeySTNAYYAUYNYCJH-UHFFFAOYSA-N
XLogP-0.61
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione
CID 163606651
(3R)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130632888
ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione
CID 176950350
3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid
CID 87423107
1-methyl-3-(1-sulfanylethylsulfanyl)pyrrolidine-2,5-dione;yttrium
CID 58713838
6-(dimethylamino)-1-methyl-1,3-diazinane-2,4-dione
CID 76560667
methanethiol;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
CID 160581032
3-(2-aminophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione
CID 14956141
1-methyl-3-(5-methylidenecyclohepta-1,3,6-trien-1-yl)sulfanylpyrrolidine-2,5-dione
CID 163464251
3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione
CID 141162707
2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid
CID 64916699
(1-methyl-2,5-dioxopyrrolidin-3-yl)mercury
CID 142151473

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione (CID 129044766) is 3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione is CN(SC1CC(=O)NC1=O)SC1CC(=O)N(C)C1=O.
What is the InChIKey of 3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione?
The InChIKey is STNAYYAUYNYCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S2/c1-12-8(15)4-6(10(12)17)19-13(2)18-5-3-7(14)11-9(5)16/h5-6H,3-4H2,1-2H3,(H,11,14,16).
What are the key properties of 3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione?
3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione has a molecular weight of 303.37 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 129044766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).