N-oxidomethanesulfonamide

CH4NO3S- — CID 141093853

IUPACN-oxidomethanesulfonamide
SMILESCS(=O)(=O)N[O-]
InChIInChI=1S/CH4NO3S/c1-6(4,5)2-3/h2H,1H3/q-1
InChIKeyBVUZHYNWKBAMSO-UHFFFAOYSA-N
MW110.11 g/mol
LogP-0.97
Rot. Bonds1

About N-oxidomethanesulfonamide

N-oxidomethanesulfonamide (PubChem CID 141093853) has the molecular formula CH4NO3S- and a molecular weight of 110.11 g/mol. Its IUPAC name is N-oxidomethanesulfonamide.

Molecular Properties

Compound NameN-oxidomethanesulfonamide
PubChem CID141093853
Molecular FormulaCH4NO3S-
Molecular Weight110.11 g/mol
Exact Mass109.99
IUPAC NameN-oxidomethanesulfonamide
SMILESCS(=O)(=O)N[O-]
InChIInChI=1S/CH4NO3S/c1-6(4,5)2-3/h2H,1H3/q-1
InChIKeyBVUZHYNWKBAMSO-UHFFFAOYSA-N
XLogP-0.97
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 163486287
CID 163486287
sodium;methanesulfonic acid;methanolate
CID 162335576
methane;methanesulfonic acid
CID 87535456
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;hydrate
CID 87278985
cadmium(2+);methanesulfonate
CID 15443099
methanesulfonic acid;stibane
CID 173129060
methanesulfonate;silver
CID 15907847
CID 87129852
CID 87129852
gold(3+);methanesulfonate
CID 140522406
methanesulfonate;hydrobromide
CID 18469443
holmium(3+);methanesulfonate
CID 141092776

Frequently Asked Questions

What is the IUPAC name of N-oxidomethanesulfonamide?
The IUPAC name of N-oxidomethanesulfonamide (CID 141093853) is N-oxidomethanesulfonamide.
What is the SMILES notation for N-oxidomethanesulfonamide?
The canonical SMILES for N-oxidomethanesulfonamide is CS(=O)(=O)N[O-].
What is the InChIKey of N-oxidomethanesulfonamide?
The InChIKey is BVUZHYNWKBAMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4NO3S/c1-6(4,5)2-3/h2H,1H3/q-1.
What are the key properties of N-oxidomethanesulfonamide?
N-oxidomethanesulfonamide has a molecular weight of 110.11 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxidomethanesulfonamide is sourced from PubChem (CID 141093853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).