[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate

C18H23N3O2S2 — CID 8694503

IUPAC[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate
SMILESO=C(CCSC(=S)N1CCCC1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H23N3O2S2/c22-16(9-13-25-18(24)20-10-1-2-11-20)19-14-5-7-15(8-6-14)21-12-3-4-17(21)23/h5-8H,1-4,9-13H2,(H,19,22)
InChIKeyRFAQJWCKFZHVNU-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.26
Rot. Bonds5

About [3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate

[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate (PubChem CID 8694503) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is [3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate
PubChem CID8694503
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC Name[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate
SMILESO=C(CCSC(=S)N1CCCC1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H23N3O2S2/c22-16(9-13-25-18(24)20-10-1-2-11-20)19-14-5-7-15(8-6-14)21-12-3-4-17(21)23/h5-8H,1-4,9-13H2,(H,19,22)
InChIKeyRFAQJWCKFZHVNU-UHFFFAOYSA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate
CID 9416191
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 55816776
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
3-(2,3-dichlorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38924388
2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8513757
3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 87236403
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249
[2-(4-acetamidoanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7607505
2-(4-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8747158
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146

Frequently Asked Questions

What is the IUPAC name of [3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate?
The IUPAC name of [3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate (CID 8694503) is [3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate.
What is the SMILES notation for [3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate?
The canonical SMILES for [3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate is O=C(CCSC(=S)N1CCCC1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate?
The InChIKey is RFAQJWCKFZHVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c22-16(9-13-25-18(24)20-10-1-2-11-20)19-14-5-7-15(8-6-14)21-12-3-4-17(21)23/h5-8H,1-4,9-13H2,(H,19,22).
What are the key properties of [3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate?
[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate has a molecular weight of 377.54 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate is sourced from PubChem (CID 8694503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).