[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate

C8H15N3O2S2 — CID 9373249

IUPAC[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
SMILESCNC(=O)NC(=O)[C@@H](C)SC(=S)N(C)C
InChIInChI=1S/C8H15N3O2S2/c1-5(15-8(14)11(3)4)6(12)10-7(13)9-2/h5H,1-4H3,(H2,9,10,12,13)/t5-/m1/s1
InChIKeyNXVSUAILTCJWBV-RXMQYKEDSA-N
MW249.36 g/mol
LogP0.41
Rot. Bonds2

About [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate (PubChem CID 9373249) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
PubChem CID9373249
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
SMILESCNC(=O)NC(=O)[C@@H](C)SC(=S)N(C)C
InChIInChI=1S/C8H15N3O2S2/c1-5(15-8(14)11(3)4)6(12)10-7(13)9-2/h5H,1-4H3,(H2,9,10,12,13)/t5-/m1/s1
InChIKeyNXVSUAILTCJWBV-RXMQYKEDSA-N
XLogP0.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.41
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 [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
The IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate (CID 9373249) is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate is CNC(=O)NC(=O)[C@@H](C)SC(=S)N(C)C.
What is the InChIKey of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
The InChIKey is NXVSUAILTCJWBV-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-5(15-8(14)11(3)4)6(12)10-7(13)9-2/h5H,1-4H3,(H2,9,10,12,13)/t5-/m1/s1.
What are the key properties of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate has a molecular weight of 249.36 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 9373249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).