[2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate

C17H18N2OS2 — CID 7607162

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
SMILESO=C(CSC(=S)N1CCCC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2OS2/c20-16(12-22-17(21)19-9-3-4-10-19)18-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2,(H,18,20)
InChIKeyIFCDBRTYVZWXPI-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.89
Rot. Bonds3

About [2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate

[2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate (PubChem CID 7607162) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
PubChem CID7607162
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
SMILESO=C(CSC(=S)N1CCCC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2OS2/c20-16(12-22-17(21)19-9-3-4-10-19)18-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2,(H,18,20)
InChIKeyIFCDBRTYVZWXPI-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate 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

[2-(4-acetamidoanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7607505
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 7606742
[2-(3-cyanoanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7915899
[2-(3-ethylanilino)-2-oxoethyl] azepane-1-carbodithioate
CID 9484025
[2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 2403487
S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate
CID 2343098
N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide
CID 4994531
(2-anilino-2-oxoethyl) 2-(pyrrolidine-1-carbothioylsulfanyl)acetate
CID 8660171
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] pyrrolidine-1-carbodithioate
CID 7607354
[2-(2,4-difluoroanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7607052
(2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate
CID 853106
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
CID 9423111

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate (CID 7607162) is [2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate is O=C(CSC(=S)N1CCCC1)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate?
The InChIKey is IFCDBRTYVZWXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c20-16(12-22-17(21)19-9-3-4-10-19)18-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2,(H,18,20).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate has a molecular weight of 330.48 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate is sourced from PubChem (CID 7607162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).