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

C7H13N3O2S2 — CID 9373253

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
SMILESC[C@@H](SC(=S)N(C)C)C(=O)NC(N)=O
InChIInChI=1S/C7H13N3O2S2/c1-4(5(11)9-6(8)12)14-7(13)10(2)3/h4H,1-3H3,(H3,8,9,11,12)/t4-/m1/s1
InChIKeyGCPMTKPXEPFJBK-SCSAIBSYSA-N
MW235.33 g/mol
LogP0.15
Rot. Bonds2

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

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate (PubChem CID 9373253) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
PubChem CID9373253
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
SMILESC[C@@H](SC(=S)N(C)C)C(=O)NC(N)=O
InChIInChI=1S/C7H13N3O2S2/c1-4(5(11)9-6(8)12)14-7(13)10(2)3/h4H,1-3H3,(H3,8,9,11,12)/t4-/m1/s1
InChIKeyGCPMTKPXEPFJBK-SCSAIBSYSA-N
XLogP0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 2379600
[2-oxo-2-[(propanoylamino)methylamino]ethyl] N,N-dimethylcarbamodithioate
CID 53731054
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] N,N-dimethylcarbamodithioate
CID 7554724
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] N,N-dimethylcarbamodithioate
CID 7554726
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] N,N-dimethylcarbamodithioate
CID 8360522
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] N,N-dimethylcarbamodithioate
CID 8360523
[2-(carbamoylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 9373245
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
CID 9373248
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
CID 9373249
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
CID 9373252
[1-(Carbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 24505551
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 40721301

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate (CID 9373253) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate is C[C@@H](SC(=S)N(C)C)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
The InChIKey is GCPMTKPXEPFJBK-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-4(5(11)9-6(8)12)14-7(13)10(2)3/h4H,1-3H3,(H3,8,9,11,12)/t4-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate has a molecular weight of 235.33 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 9373253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).