[1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate

C10H17N3O2S2 — CID 24505550

IUPAC[1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
SMILESCNC(=O)NC(=O)C(C)SC(=S)N1CCCC1
InChIInChI=1S/C10H17N3O2S2/c1-7(8(14)12-9(15)11-2)17-10(16)13-5-3-4-6-13/h7H,3-6H2,1-2H3,(H2,11,12,14,15)
InChIKeyFBFFMTURKVCEQJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.94
Rot. Bonds2

About [1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate (PubChem CID 24505550) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
PubChem CID24505550
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
SMILESCNC(=O)NC(=O)C(C)SC(=S)N1CCCC1
InChIInChI=1S/C10H17N3O2S2/c1-7(8(14)12-9(15)11-2)17-10(16)13-5-3-4-6-13/h7H,3-6H2,1-2H3,(H2,11,12,14,15)
InChIKeyFBFFMTURKVCEQJ-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.94
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 [1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate?
The IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate (CID 24505550) is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate.
What is the SMILES notation for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate?
The canonical SMILES for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate is CNC(=O)NC(=O)C(C)SC(=S)N1CCCC1.
What is the InChIKey of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate?
The InChIKey is FBFFMTURKVCEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-7(8(14)12-9(15)11-2)17-10(16)13-5-3-4-6-13/h7H,3-6H2,1-2H3,(H2,11,12,14,15).
What are the key properties of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate?
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate has a molecular weight of 275.40 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate is sourced from PubChem (CID 24505550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).