[2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate

C10H19N3O2S2 — CID 2379600

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C10H19N3O2S2/c1-10(2,3)12-8(15)11-7(14)6-17-9(16)13(4)5/h6H2,1-5H3,(H2,11,12,14,15)
InChIKeyVJKHTAVWRBQHHW-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.19
Rot. Bonds2

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate (PubChem CID 2379600) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
PubChem CID2379600
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C10H19N3O2S2/c1-10(2,3)12-8(15)11-7(14)6-17-9(16)13(4)5/h6H2,1-5H3,(H2,11,12,14,15)
InChIKeyVJKHTAVWRBQHHW-UHFFFAOYSA-N
XLogP1.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate (CID 2379600) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate is CN(C)C(=S)SCC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The InChIKey is VJKHTAVWRBQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-10(2,3)12-8(15)11-7(14)6-17-9(16)13(4)5/h6H2,1-5H3,(H2,11,12,14,15).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate has a molecular weight of 277.41 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 2379600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).