methyl N'-methyl-N-methylsulfonylcarbamimidothioate

C4H10N2O2S2 — CID 13247984

IUPACmethyl N'-methyl-N-methylsulfonylcarbamimidothioate
SMILESC/N=C(/NS(C)(=O)=O)SC
InChIInChI=1S/C4H10N2O2S2/c1-5-4(9-2)6-10(3,7)8/h1-3H3,(H,5,6)
InChIKeyJNWIAYJQCFJWJP-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.12
Rot. Bonds1

About methyl N'-methyl-N-methylsulfonylcarbamimidothioate

methyl N'-methyl-N-methylsulfonylcarbamimidothioate (PubChem CID 13247984) has the molecular formula C4H10N2O2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is methyl N'-methyl-N-methylsulfonylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-methyl-N-methylsulfonylcarbamimidothioate
PubChem CID13247984
Molecular FormulaC4H10N2O2S2
Molecular Weight182.27 g/mol
Exact Mass182.02
IUPAC Namemethyl N'-methyl-N-methylsulfonylcarbamimidothioate
SMILESC/N=C(/NS(C)(=O)=O)SC
InChIInChI=1S/C4H10N2O2S2/c1-5-4(9-2)6-10(3,7)8/h1-3H3,(H,5,6)
InChIKeyJNWIAYJQCFJWJP-UHFFFAOYSA-N
XLogP-0.12
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N'-methyl-N-methylsulfonylcarbamimidothioate?
The IUPAC name of methyl N'-methyl-N-methylsulfonylcarbamimidothioate (CID 13247984) is methyl N'-methyl-N-methylsulfonylcarbamimidothioate.
What is the SMILES notation for methyl N'-methyl-N-methylsulfonylcarbamimidothioate?
The canonical SMILES for methyl N'-methyl-N-methylsulfonylcarbamimidothioate is C/N=C(/NS(C)(=O)=O)SC.
What is the InChIKey of methyl N'-methyl-N-methylsulfonylcarbamimidothioate?
The InChIKey is JNWIAYJQCFJWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S2/c1-5-4(9-2)6-10(3,7)8/h1-3H3,(H,5,6).
What are the key properties of methyl N'-methyl-N-methylsulfonylcarbamimidothioate?
methyl N'-methyl-N-methylsulfonylcarbamimidothioate has a molecular weight of 182.27 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-methyl-N-methylsulfonylcarbamimidothioate is sourced from PubChem (CID 13247984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).