(3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione

C12H16N2O4S2 — CID 163410348

IUPAC(3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](S)C(=O)N1CCCCN1C(=O)C[C@H](S)C1=O
InChIInChI=1S/C12H16N2O4S2/c15-9-5-7(19)11(17)13(9)3-1-2-4-14-10(16)6-8(20)12(14)18/h7-8,19-20H,1-6H2/t7-,8+
InChIKeyQPERSOBPCXJXHX-OCAPTIKFSA-N
MW316.40 g/mol
LogP-0.12
Rot. Bonds5

About (3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione

(3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 163410348) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione
PubChem CID163410348
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Name(3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](S)C(=O)N1CCCCN1C(=O)C[C@H](S)C1=O
InChIInChI=1S/C12H16N2O4S2/c15-9-5-7(19)11(17)13(9)3-1-2-4-14-10(16)6-8(20)12(14)18/h7-8,19-20H,1-6H2/t7-,8+
InChIKeyQPERSOBPCXJXHX-OCAPTIKFSA-N
XLogP-0.12
TPSA74.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3'-Sulfanediylbis(1-ethylpyrrolidine-2,5-dione)
CID 270424
1-Butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyrrolidine-2,5-dione
CID 229033
1,4-Bis-(2-oxo-pyrrolidin-1-yl)-butane-1,4-dione
CID 652005
2-Succinimidoethyl 1-pyrrolidinecarbodithioate
CID 575232
1-[2-[2-(2,5-Dioxopyrrolidin-1-yl)ethyldisulfanyl]ethyl]pyrrolidine-2,5-dione
CID 1903476
1,1'-(Butane-1,4-diyl)bis(pyrrolidine-2,5-dione)
CID 10060753
(3R)-1-[[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]methoxymethyl]-3-sulfanylpyrrolidine-2,5-dione
CID 446566
(3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione
CID 53245656
(3R)-1-[4-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione
CID 53245659
(3S)-1-[6-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]hexyl]-3-sulfanylpyrrolidine-2,5-dione
CID 71571540
(3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione
CID 86287509
(3R)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione
CID 139592383

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione (CID 163410348) is (3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione is O=C1C[C@@H](S)C(=O)N1CCCCN1C(=O)C[C@H](S)C1=O.
What is the InChIKey of (3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is QPERSOBPCXJXHX-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c15-9-5-7(19)11(17)13(9)3-1-2-4-14-10(16)6-8(20)12(14)18/h7-8,19-20H,1-6H2/t7-,8+.
What are the key properties of (3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione?
(3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 316.40 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 163410348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).