azane;sulfonylmethane

CH5NO2S — CID 157131409

IUPACazane;sulfonylmethane
SMILESC=S(=O)=O.N
InChIInChI=1S/CH2O2S.H3N/c1-4(2)3;/h1H2;1H3
InChIKeyAJCULLWNABDTRT-UHFFFAOYSA-N
MW95.12 g/mol
LogP-0.54
Rot. Bonds

About azane;sulfonylmethane

azane;sulfonylmethane (PubChem CID 157131409) has the molecular formula CH5NO2S and a molecular weight of 95.12 g/mol. Its IUPAC name is azane;sulfonylmethane.

Molecular Properties

Compound Nameazane;sulfonylmethane
PubChem CID157131409
Molecular FormulaCH5NO2S
Molecular Weight95.12 g/mol
Exact Mass95.00
IUPAC Nameazane;sulfonylmethane
SMILESC=S(=O)=O.N
InChIInChI=1S/CH2O2S.H3N/c1-4(2)3;/h1H2;1H3
InChIKeyAJCULLWNABDTRT-UHFFFAOYSA-N
XLogP-0.54
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.12
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;sulfonylmethane?
The IUPAC name of azane;sulfonylmethane (CID 157131409) is azane;sulfonylmethane.
What is the SMILES notation for azane;sulfonylmethane?
The canonical SMILES for azane;sulfonylmethane is C=S(=O)=O.N.
What is the InChIKey of azane;sulfonylmethane?
The InChIKey is AJCULLWNABDTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2S.H3N/c1-4(2)3;/h1H2;1H3.
What are the key properties of azane;sulfonylmethane?
azane;sulfonylmethane has a molecular weight of 95.12 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfonylmethane is sourced from PubChem (CID 157131409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).