N'-methoxysulfinylethanimidamide

C3H8N2O2S — CID 154552950

IUPACN'-methoxysulfinylethanimidamide
SMILESCOS(=O)N=C(C)N
InChIInChI=1S/C3H8N2O2S/c1-3(4)5-8(6)7-2/h1-2H3,(H2,4,5)
InChIKeyMOHSTERHFLNCOM-UHFFFAOYSA-N
MW136.18 g/mol
LogP-0.41
Rot. Bonds2

About N'-methoxysulfinylethanimidamide

N'-methoxysulfinylethanimidamide (PubChem CID 154552950) has the molecular formula C3H8N2O2S and a molecular weight of 136.18 g/mol. Its IUPAC name is N'-methoxysulfinylethanimidamide.

Molecular Properties

Compound NameN'-methoxysulfinylethanimidamide
PubChem CID154552950
Molecular FormulaC3H8N2O2S
Molecular Weight136.18 g/mol
Exact Mass136.03
IUPAC NameN'-methoxysulfinylethanimidamide
SMILESCOS(=O)N=C(C)N
InChIInChI=1S/C3H8N2O2S/c1-3(4)5-8(6)7-2/h1-2H3,(H2,4,5)
InChIKeyMOHSTERHFLNCOM-UHFFFAOYSA-N
XLogP-0.41
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-methoxysulfinylethanimidamide?
The IUPAC name of N'-methoxysulfinylethanimidamide (CID 154552950) is N'-methoxysulfinylethanimidamide.
What is the SMILES notation for N'-methoxysulfinylethanimidamide?
The canonical SMILES for N'-methoxysulfinylethanimidamide is COS(=O)N=C(C)N.
What is the InChIKey of N'-methoxysulfinylethanimidamide?
The InChIKey is MOHSTERHFLNCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2S/c1-3(4)5-8(6)7-2/h1-2H3,(H2,4,5).
What are the key properties of N'-methoxysulfinylethanimidamide?
N'-methoxysulfinylethanimidamide has a molecular weight of 136.18 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxysulfinylethanimidamide is sourced from PubChem (CID 154552950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).