methyl N-(dimethylaminocarbamothioylamino)carbamate

C5H12N4O2S — CID 23352303

IUPACmethyl N-(dimethylaminocarbamothioylamino)carbamate
SMILESCOC(=O)NNC(=S)NN(C)C
InChIInChI=1S/C5H12N4O2S/c1-9(2)8-4(12)6-7-5(10)11-3/h1-3H3,(H,7,10)(H2,6,8,12)
InChIKeyAMXISJRZNBYAKI-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.80
Rot. Bonds1

About methyl N-(dimethylaminocarbamothioylamino)carbamate

methyl N-(dimethylaminocarbamothioylamino)carbamate (PubChem CID 23352303) has the molecular formula C5H12N4O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is methyl N-(dimethylaminocarbamothioylamino)carbamate.

Molecular Properties

Compound Namemethyl N-(dimethylaminocarbamothioylamino)carbamate
PubChem CID23352303
Molecular FormulaC5H12N4O2S
Molecular Weight192.24 g/mol
Exact Mass192.07
IUPAC Namemethyl N-(dimethylaminocarbamothioylamino)carbamate
SMILESCOC(=O)NNC(=S)NN(C)C
InChIInChI=1S/C5H12N4O2S/c1-9(2)8-4(12)6-7-5(10)11-3/h1-3H3,(H,7,10)(H2,6,8,12)
InChIKeyAMXISJRZNBYAKI-UHFFFAOYSA-N
XLogP-0.80
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(dimethylaminocarbamothioylamino)carbamate?
The IUPAC name of methyl N-(dimethylaminocarbamothioylamino)carbamate (CID 23352303) is methyl N-(dimethylaminocarbamothioylamino)carbamate.
What is the SMILES notation for methyl N-(dimethylaminocarbamothioylamino)carbamate?
The canonical SMILES for methyl N-(dimethylaminocarbamothioylamino)carbamate is COC(=O)NNC(=S)NN(C)C.
What is the InChIKey of methyl N-(dimethylaminocarbamothioylamino)carbamate?
The InChIKey is AMXISJRZNBYAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2S/c1-9(2)8-4(12)6-7-5(10)11-3/h1-3H3,(H,7,10)(H2,6,8,12).
What are the key properties of methyl N-(dimethylaminocarbamothioylamino)carbamate?
methyl N-(dimethylaminocarbamothioylamino)carbamate has a molecular weight of 192.24 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(dimethylaminocarbamothioylamino)carbamate is sourced from PubChem (CID 23352303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).