3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one

C14H24N2O2S — CID 2167108

IUPAC3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCSCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C14H24N2O2S/c17-13(15-7-1-2-8-15)5-11-19-12-6-14(18)16-9-3-4-10-16/h1-12H2
InChIKeyZFTYQCACVIHXJZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.74
Rot. Bonds6

About 3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one

3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 2167108) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID2167108
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCSCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C14H24N2O2S/c17-13(15-7-1-2-8-15)5-11-19-12-6-14(18)16-9-3-4-10-16/h1-12H2
InChIKeyZFTYQCACVIHXJZ-UHFFFAOYSA-N
XLogP1.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
Thiophenium, tetrahydro-1-(4-(2-oxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate
CID 3066676
2-Cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone
CID 2402562
2-Cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 42895302
2-Butyl-3-(2-(pyrrolidin-1-yl)ethyl)thiazolidin-4-one
CID 132280939
(3S)-3-propylsulfanyl-1-pyrrolidin-1-ylbutan-1-one
CID 164674982
1-[4-(Thiolan-1-ium-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 3066677
1-[4-(Thiolan-1-ium-1-yl)but-2-ynyl]pyrrolidine-2,5-dione
CID 3066681
1-Ethyl-3-[2-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanylethylsulfanyl]pyrrolidine-2,5-dione
CID 270416
3-Methylsulfanyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2,5-dione
CID 9795324
1-[2-[2-(2-Oxopyrrolidin-1-yl)ethyldisulfanyl]ethyl]pyrrolidin-2-one
CID 13848190

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one (CID 2167108) is 3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one is O=C(CCSCCC(=O)N1CCCC1)N1CCCC1.
What is the InChIKey of 3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZFTYQCACVIHXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c17-13(15-7-1-2-8-15)5-11-19-12-6-14(18)16-9-3-4-10-16/h1-12H2.
What are the key properties of 3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 284.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 2167108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).