methane;sulfamic acid

CH7NO3S — CID 87277660

IUPACmethane;sulfamic acid
SMILESC.NS(=O)(=O)O
InChIInChI=1S/CH4.H3NO3S/c;1-5(2,3)4/h1H4;(H3,1,2,3,4)
InChIKeyWZHNBSUIWFUHIR-UHFFFAOYSA-N
MW113.14 g/mol
LogP-0.62
Rot. Bonds

About methane;sulfamic acid

methane;sulfamic acid (PubChem CID 87277660) has the molecular formula CH7NO3S and a molecular weight of 113.14 g/mol. Its IUPAC name is methane;sulfamic acid.

Molecular Properties

Compound Namemethane;sulfamic acid
PubChem CID87277660
Molecular FormulaCH7NO3S
Molecular Weight113.14 g/mol
Exact Mass113.01
IUPAC Namemethane;sulfamic acid
SMILESC.NS(=O)(=O)O
InChIInChI=1S/CH4.H3NO3S/c;1-5(2,3)4/h1H4;(H3,1,2,3,4)
InChIKeyWZHNBSUIWFUHIR-UHFFFAOYSA-N
XLogP-0.62
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azane;sulfamic acid
CID 172811731
sulfamic acid;yttrium
CID 159754211
CID 131847531
CID 131847531
ethane;sulfamic acid
CID 172846940
azane;sulfamic acid;sulfamide
CID 174286592
nickel;sulfamic acid;sulfuric acid
CID 173415674
strontium;hydride;sulfamic acid;hydrate
CID 175447547
calcium;magnesium;hydride;sulfamic acid
CID 175059340
sulfamic acid;sulfurous acid
CID 159581131
bis(nickel(2+));sulfamic acid;disulfate
CID 157251351
methane;sulfuric acid
CID 174865737
dilithium;formic acid;hydride;sulfamic acid
CID 174979173

Frequently Asked Questions

What is the IUPAC name of methane;sulfamic acid?
The IUPAC name of methane;sulfamic acid (CID 87277660) is methane;sulfamic acid.
What is the SMILES notation for methane;sulfamic acid?
The canonical SMILES for methane;sulfamic acid is C.NS(=O)(=O)O.
What is the InChIKey of methane;sulfamic acid?
The InChIKey is WZHNBSUIWFUHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.H3NO3S/c;1-5(2,3)4/h1H4;(H3,1,2,3,4).
What are the key properties of methane;sulfamic acid?
methane;sulfamic acid has a molecular weight of 113.14 g/mol, XLogP of -0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;sulfamic acid is sourced from PubChem (CID 87277660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).