N-succinyl-S-acetylcysteamine

C8H11NO3S — CID 129713559

IUPACS-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] ethanethioate
SMILESCC(=O)SCCN1C(=O)CCC1=O
InChIInChI=1S/C8H11NO3S/c1-6(10)13-5-4-9-7(11)2-3-8(9)12/h2-5H2,1H3
InChIKeyUKZFHZXMKOKQKY-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.40
Rot. Bonds4

About N-succinyl-S-acetylcysteamine

N-succinyl-S-acetylcysteamine (PubChem CID 129713559) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is S-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] ethanethioate.

Molecular Properties

Compound NameN-succinyl-S-acetylcysteamine
PubChem CID129713559
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC NameS-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] ethanethioate
SMILESCC(=O)SCCN1C(=O)CCC1=O
InChIInChI=1S/C8H11NO3S/c1-6(10)13-5-4-9-7(11)2-3-8(9)12/h2-5H2,1H3
InChIKeyUKZFHZXMKOKQKY-UHFFFAOYSA-N
XLogP-0.40
TPSA79.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity236

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-Dioxopyrrolidin-1-yl)but-2-ynyl-dimethylsulfanium chloride
CID 45266300
3,3'-Sulfanediylbis(1-ethylpyrrolidine-2,5-dione)
CID 270424
S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate
CID 3056964
1-Butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyrrolidine-2,5-dione
CID 229033
1-[4-(Thiolan-1-ium-1-yl)but-2-ynyl]pyrrolidine-2,5-dione chloride
CID 45266299
Sulfonium, dimethyl(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate
CID 3066678
3-(Methylsulfanyl)-1-(pyrrolidin-1-yl)propan-1-one
CID 60635073
1-Methyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 15305425
4-(Methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one
CID 84324723
Acetic 2-(2,5-dioxopyrrolidin-1-yl)acetic thioanhydride
CID 11241369
1-[2-(Ethylthio)ethyl]-2-pyrrolidinone
CID 20458704
1-(2-Sulfanylethyl)pyrrolidine-2,5-dione
CID 22016357

Frequently Asked Questions

What is the IUPAC name of N-succinyl-S-acetylcysteamine?
The IUPAC name of N-succinyl-S-acetylcysteamine (CID 129713559) is S-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] ethanethioate.
What is the SMILES notation for N-succinyl-S-acetylcysteamine?
The canonical SMILES for N-succinyl-S-acetylcysteamine is CC(=O)SCCN1C(=O)CCC1=O.
What is the InChIKey of N-succinyl-S-acetylcysteamine?
The InChIKey is UKZFHZXMKOKQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6(10)13-5-4-9-7(11)2-3-8(9)12/h2-5H2,1H3.
What are the key properties of N-succinyl-S-acetylcysteamine?
N-succinyl-S-acetylcysteamine has a molecular weight of 201.25 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-succinyl-S-acetylcysteamine is sourced from PubChem (CID 129713559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).