methyl N'-(methylsulfanylcarbamoyl)carbamimidate

C4H9N3O2S — CID 21442387

IUPACmethyl N'-(methylsulfanylcarbamoyl)carbamimidate
SMILESCO/C(N)=N\C(=O)NSC
InChIInChI=1S/C4H9N3O2S/c1-9-3(5)6-4(8)7-10-2/h1-2H3,(H3,5,6,7,8)
InChIKeyCONVRSPHOKXRFM-UHFFFAOYSA-N
MW163.20 g/mol
LogP-0.06
Rot. Bonds1

About methyl N'-(methylsulfanylcarbamoyl)carbamimidate

methyl N'-(methylsulfanylcarbamoyl)carbamimidate (PubChem CID 21442387) has the molecular formula C4H9N3O2S and a molecular weight of 163.20 g/mol. Its IUPAC name is methyl N'-(methylsulfanylcarbamoyl)carbamimidate.

Molecular Properties

Compound Namemethyl N'-(methylsulfanylcarbamoyl)carbamimidate
PubChem CID21442387
Molecular FormulaC4H9N3O2S
Molecular Weight163.20 g/mol
Exact Mass163.04
IUPAC Namemethyl N'-(methylsulfanylcarbamoyl)carbamimidate
SMILESCO/C(N)=N\C(=O)NSC
InChIInChI=1S/C4H9N3O2S/c1-9-3(5)6-4(8)7-10-2/h1-2H3,(H3,5,6,7,8)
InChIKeyCONVRSPHOKXRFM-UHFFFAOYSA-N
XLogP-0.06
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N'-[(2-ethylcyclopropyl)sulfanylcarbamoyl]carbamimidate
CID 21442005
methyl N'-(2-methoxyethylcarbamoyl)carbamimidate
CID 21442162
ethyl (NZ)-N-[amino(methoxy)methylidene]carbamate
CID 22756468
methyl (NE)-N-[amino(methylsulfanyl)methylidene]carbamate
CID 6509661
methyl N'-nitrosocarbamimidate
CID 11105323
methyl (NE)-N-[amino(ethoxy)methylidene]carbamate
CID 55285827
methyl N-carbamoyl-N-(methylsulfanylcarbamoyl)carbamimidate
CID 21441996
methyl N'-(1-cyclopropylethenyl)carbamimidate
CID 155009487
methyl N'-[(Z)-4-methylpent-2-en-2-yl]carbamimidate
CID 135269899
methyl N'-cyanocarbamimidate
CID 15646036
methyl N'-tert-butylcarbamimidate
CID 13222079
methyl N'-(dimethylsulfamoyl)carbamimidate
CID 23228574

Frequently Asked Questions

What is the IUPAC name of methyl N'-(methylsulfanylcarbamoyl)carbamimidate?
The IUPAC name of methyl N'-(methylsulfanylcarbamoyl)carbamimidate (CID 21442387) is methyl N'-(methylsulfanylcarbamoyl)carbamimidate.
What is the SMILES notation for methyl N'-(methylsulfanylcarbamoyl)carbamimidate?
The canonical SMILES for methyl N'-(methylsulfanylcarbamoyl)carbamimidate is CO/C(N)=N\C(=O)NSC.
What is the InChIKey of methyl N'-(methylsulfanylcarbamoyl)carbamimidate?
The InChIKey is CONVRSPHOKXRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2S/c1-9-3(5)6-4(8)7-10-2/h1-2H3,(H3,5,6,7,8).
What are the key properties of methyl N'-(methylsulfanylcarbamoyl)carbamimidate?
methyl N'-(methylsulfanylcarbamoyl)carbamimidate has a molecular weight of 163.20 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(methylsulfanylcarbamoyl)carbamimidate is sourced from PubChem (CID 21442387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).