methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate

C7H16N2OS — CID 123196613

IUPACmethyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate
SMILESC/N=C(/NC(C)COC)SC
InChIInChI=1S/C7H16N2OS/c1-6(5-10-3)9-7(8-2)11-4/h6H,5H2,1-4H3,(H,8,9)
InChIKeyNYOANIBZKIWALI-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.96
Rot. Bonds3

About methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate

methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate (PubChem CID 123196613) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate
PubChem CID123196613
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Namemethyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate
SMILESC/N=C(/NC(C)COC)SC
InChIInChI=1S/C7H16N2OS/c1-6(5-10-3)9-7(8-2)11-4/h6H,5H2,1-4H3,(H,8,9)
InChIKeyNYOANIBZKIWALI-UHFFFAOYSA-N
XLogP0.96
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,4,7,8-Tetrahydro-5-(methylthio)-2H-1,4,6-oxadiazocine monohydriodide
CID 12948957
methyl N'-(2,2-dimethoxyethyl)-N-propan-2-ylcarbamimidothioate
CID 20222902
5-methylsulfanyl-3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocine
CID 12739154
N-(1-methoxypropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148945
N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43148946
N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439563
N-(1-methoxypropan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439704
N-(1-methoxypropan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439705
4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439708
N-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61849649
N-(1-ethoxypropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61849650
N-(1-ethoxypropan-2-yl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61849863

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate?
The IUPAC name of methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate (CID 123196613) is methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate.
What is the SMILES notation for methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate?
The canonical SMILES for methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate is C/N=C(/NC(C)COC)SC.
What is the InChIKey of methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate?
The InChIKey is NYOANIBZKIWALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-6(5-10-3)9-7(8-2)11-4/h6H,5H2,1-4H3,(H,8,9).
What are the key properties of methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate?
methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate has a molecular weight of 176.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methoxypropan-2-yl)-N'-methylcarbamimidothioate is sourced from PubChem (CID 123196613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).