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

C7H13N3O2S2 — CID 9373252

IUPAC[(2S)-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-/m0/s1
InChIKeyGCPMTKPXEPFJBK-BYPYZUCNSA-N
MW235.33 g/mol
LogP0.15
Rot. Bonds2

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

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate (PubChem CID 9373252) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
PubChem CID9373252
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name[(2S)-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-/m0/s1
InChIKeyGCPMTKPXEPFJBK-BYPYZUCNSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate (CID 9373252) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [(2S)-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 [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
The InChIKey is GCPMTKPXEPFJBK-BYPYZUCNSA-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-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate?
[(2S)-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 [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 9373252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).