methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide

C8H22N2O4S2 — CID 164997769

IUPACmethane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide
SMILESC.C=S(C)(=O)N(C)S(C)(=O)=O.CNC(C)=O
InChIInChI=1S/C4H11NO3S2.C3H7NO.CH4/c1-5(9(2,3)6)10(4,7)8;1-3(5)4-2;/h2H2,1,3-4H3;1-2H3,(H,4,5);1H4
InChIKeyHUGZDRGPNZPBLN-UHFFFAOYSA-N
MW274.41 g/mol
LogP-0.47
Rot. Bonds2

About methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide

methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide (PubChem CID 164997769) has the molecular formula C8H22N2O4S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide.

Molecular Properties

Compound Namemethane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide
PubChem CID164997769
Molecular FormulaC8H22N2O4S2
Molecular Weight274.41 g/mol
Exact Mass274.10
IUPAC Namemethane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide
SMILESC.C=S(C)(=O)N(C)S(C)(=O)=O.CNC(C)=O
InChIInChI=1S/C4H11NO3S2.C3H7NO.CH4/c1-5(9(2,3)6)10(4,7)8;1-3(5)4-2;/h2H2,1,3-4H3;1-2H3,(H,4,5);1H4
InChIKeyHUGZDRGPNZPBLN-UHFFFAOYSA-N
XLogP-0.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;N-methylacetamide
CID 169425645
formaldehyde;N-methylacetamide
CID 159490973
ethane;methane;N-methylacetamide
CID 159401147
methane;N-methyl-N-methylsulfonylmethanesulfonamide
CID 157258275
CID 159040973
CID 159040973
bis(N-methylacetamide);propan-2-one
CID 158104043
potassium;hydride;N-methylacetamide
CID 173418413
N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine
CID 13349447
methanamine;bis(N-methylacetamide);propan-2-one
CID 157204854
methane;tris(N-methylacetamide);N-methylformamide
CID 158395174
acetamide;acetic acid;N,N-dimethylacetamide;N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);methane;methanesulfonamide;N-methylacetamide;methyl acetate;N-methylmethanamine;tris(N-methylmethanesulfonamide);methylsulfonylmethane
CID 158597077
methane;methylsulfonylmethane;propan-2-one
CID 169426360

Frequently Asked Questions

What is the IUPAC name of methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide?
The IUPAC name of methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide (CID 164997769) is methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide.
What is the SMILES notation for methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide?
The canonical SMILES for methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide is C.C=S(C)(=O)N(C)S(C)(=O)=O.CNC(C)=O.
What is the InChIKey of methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide?
The InChIKey is HUGZDRGPNZPBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S2.C3H7NO.CH4/c1-5(9(2,3)6)10(4,7)8;1-3(5)4-2;/h2H2,1,3-4H3;1-2H3,(H,4,5);1H4.
What are the key properties of methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide?
methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide has a molecular weight of 274.41 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide is sourced from PubChem (CID 164997769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).