N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane

C5H14N2O2S — CID 159547919

IUPACN,N-dimethyl-N'-methylsulfonylmethanimidamide;methane
SMILESC.CN(C)C=NS(C)(=O)=O
InChIInChI=1S/C4H10N2O2S.CH4/c1-6(2)4-5-9(3,7)8;/h4H,1-3H3;1H4
InChIKeyMFAJWUUZWFTXEH-UHFFFAOYSA-N
MW166.25 g/mol
LogP0.17
Rot. Bonds2

About N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane

N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane (PubChem CID 159547919) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane.

Molecular Properties

Compound NameN,N-dimethyl-N'-methylsulfonylmethanimidamide;methane
PubChem CID159547919
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC NameN,N-dimethyl-N'-methylsulfonylmethanimidamide;methane
SMILESC.CN(C)C=NS(C)(=O)=O
InChIInChI=1S/C4H10N2O2S.CH4/c1-6(2)4-5-9(3,7)8;/h4H,1-3H3;1H4
InChIKeyMFAJWUUZWFTXEH-UHFFFAOYSA-N
XLogP0.17
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 50.17
H-Bond Donors ≤ 50
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,N-dimethyl-N'-methylsulfonylmethanimidamide;methane?
The IUPAC name of N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane (CID 159547919) is N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane.
What is the SMILES notation for N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane?
The canonical SMILES for N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane is C.CN(C)C=NS(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane?
The InChIKey is MFAJWUUZWFTXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S.CH4/c1-6(2)4-5-9(3,7)8;/h4H,1-3H3;1H4.
What are the key properties of N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane?
N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane has a molecular weight of 166.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane is sourced from PubChem (CID 159547919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).