methanesulfonamide;N-methyl-N'-sulfanyloxamide

C4H11N3O4S2 — CID 146316765

IUPACmethanesulfonamide;N-methyl-N'-sulfanyloxamide
SMILESCNC(=O)C(=O)NS.CS(N)(=O)=O
InChIInChI=1S/C3H6N2O2S.CH5NO2S/c1-4-2(6)3(7)5-8;1-5(2,3)4/h8H,1H3,(H,4,6)(H,5,7);1H3,(H2,2,3,4)
InChIKeySSIIBFQOFIBGFN-UHFFFAOYSA-N
MW229.28 g/mol
LogP-2.40
Rot. Bonds

About methanesulfonamide;N-methyl-N'-sulfanyloxamide

methanesulfonamide;N-methyl-N'-sulfanyloxamide (PubChem CID 146316765) has the molecular formula C4H11N3O4S2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methanesulfonamide;N-methyl-N'-sulfanyloxamide.

Molecular Properties

Compound Namemethanesulfonamide;N-methyl-N'-sulfanyloxamide
PubChem CID146316765
Molecular FormulaC4H11N3O4S2
Molecular Weight229.28 g/mol
Exact Mass229.02
IUPAC Namemethanesulfonamide;N-methyl-N'-sulfanyloxamide
SMILESCNC(=O)C(=O)NS.CS(N)(=O)=O
InChIInChI=1S/C3H6N2O2S.CH5NO2S/c1-4-2(6)3(7)5-8;1-5(2,3)4/h8H,1H3,(H,4,6)(H,5,7);1H3,(H2,2,3,4)
InChIKeySSIIBFQOFIBGFN-UHFFFAOYSA-N
XLogP-2.40
TPSA118.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-di((113C)methyl)oxamide
CID 169438737
methanesulfonamide;propan-2-one
CID 158339378
methanesulfonamide;dihydrochloride
CID 23102685
CID 160957536
CID 160957536
1-methylsulfonyl-3-sulfanylurea
CID 149493043
ethane;N'-methyloxamide
CID 176938398
hydroxylamine;methanesulfonic acid;hydrochloride
CID 87157729
methanesulfonamide;propane
CID 158760342
methanesulfonic acid;methanetriol
CID 174918384
methanesulfonic acid;1-sulfanylethanol
CID 174795676
N-methyl-2-methylsulfonylacetamide
CID 58808409
CID 72786756
CID 72786756

Frequently Asked Questions

What is the IUPAC name of methanesulfonamide;N-methyl-N'-sulfanyloxamide?
The IUPAC name of methanesulfonamide;N-methyl-N'-sulfanyloxamide (CID 146316765) is methanesulfonamide;N-methyl-N'-sulfanyloxamide.
What is the SMILES notation for methanesulfonamide;N-methyl-N'-sulfanyloxamide?
The canonical SMILES for methanesulfonamide;N-methyl-N'-sulfanyloxamide is CNC(=O)C(=O)NS.CS(N)(=O)=O.
What is the InChIKey of methanesulfonamide;N-methyl-N'-sulfanyloxamide?
The InChIKey is SSIIBFQOFIBGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2S.CH5NO2S/c1-4-2(6)3(7)5-8;1-5(2,3)4/h8H,1H3,(H,4,6)(H,5,7);1H3,(H2,2,3,4).
What are the key properties of methanesulfonamide;N-methyl-N'-sulfanyloxamide?
methanesulfonamide;N-methyl-N'-sulfanyloxamide has a molecular weight of 229.28 g/mol, XLogP of -2.40, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonamide;N-methyl-N'-sulfanyloxamide is sourced from PubChem (CID 146316765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).