methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate

C7H15N5O4S — CID 163424896

IUPACmethyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate
SMILESC/N=C(/N/C(=N\C)NC(=O)NS(C)(=O)=O)OC
InChIInChI=1S/C7H15N5O4S/c1-8-5(11-7(9-2)16-3)10-6(13)12-17(4,14)15/h1-4H3,(H3,8,9,10,11,12,13)
InChIKeyALQAWRKBNHESLZ-UHFFFAOYSA-N
MW265.30 g/mol
LogP-1.55
Rot. Bonds1

About methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate

methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate (PubChem CID 163424896) has the molecular formula C7H15N5O4S and a molecular weight of 265.30 g/mol. Its IUPAC name is methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate.

Molecular Properties

Compound Namemethyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate
PubChem CID163424896
Molecular FormulaC7H15N5O4S
Molecular Weight265.30 g/mol
Exact Mass265.08
IUPAC Namemethyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate
SMILESC/N=C(/N/C(=N\C)NC(=O)NS(C)(=O)=O)OC
InChIInChI=1S/C7H15N5O4S/c1-8-5(11-7(9-2)16-3)10-6(13)12-17(4,14)15/h1-4H3,(H3,8,9,10,11,12,13)
InChIKeyALQAWRKBNHESLZ-UHFFFAOYSA-N
XLogP-1.55
TPSA121.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate?
The IUPAC name of methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate (CID 163424896) is methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate.
What is the SMILES notation for methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate?
The canonical SMILES for methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate is C/N=C(/N/C(=N\C)NC(=O)NS(C)(=O)=O)OC.
What is the InChIKey of methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate?
The InChIKey is ALQAWRKBNHESLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O4S/c1-8-5(11-7(9-2)16-3)10-6(13)12-17(4,14)15/h1-4H3,(H3,8,9,10,11,12,13).
What are the key properties of methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate?
methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate has a molecular weight of 265.30 g/mol, XLogP of -1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate is sourced from PubChem (CID 163424896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).