[2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate

C15H16N2OS2 — CID 2403487

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H16N2OS2/c1-17(2)15(19)20-10-14(18)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10H2,1-2H3,(H,16,18)
InChIKeyMYQQIRZNQQVVBT-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.36
Rot. Bonds3

About [2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate

[2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate (PubChem CID 2403487) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
PubChem CID2403487
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H16N2OS2/c1-17(2)15(19)20-10-14(18)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10H2,1-2H3,(H,16,18)
InChIKeyMYQQIRZNQQVVBT-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7607162
S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate
CID 2343098
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
[2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 2140174
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3615855
N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide
CID 4994531
2-benzylsulfanyl-N-naphthalen-2-ylacetamide
CID 2558119
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3251537
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide
CID 1322911
methyl 2-[[6-[[2-(dimethylcarbamothioylsulfanyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate
CID 3730646
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
CID 8762225

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate (CID 2403487) is [2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate is CN(C)C(=S)SCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The InChIKey is MYQQIRZNQQVVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-17(2)15(19)20-10-14(18)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10H2,1-2H3,(H,16,18).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate has a molecular weight of 304.44 g/mol, XLogP of 3.36, 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] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 2403487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).