oxo-(sulfinoamino)methane

CH3NO3S — CID 18313827

IUPACoxo-(sulfinoamino)methane
SMILESO=CNS(=O)O
InChIInChI=1S/CH3NO3S/c3-1-2-6(4)5/h1H,(H,2,3)(H,4,5)
InChIKeyIXGBAGCESNXMSM-UHFFFAOYSA-N
MW109.11 g/mol
LogP-1.13
Rot. Bonds2

About oxo-(sulfinoamino)methane

oxo-(sulfinoamino)methane (PubChem CID 18313827) has the molecular formula CH3NO3S and a molecular weight of 109.11 g/mol. Its IUPAC name is oxo-(sulfinoamino)methane.

Molecular Properties

Compound Nameoxo-(sulfinoamino)methane
PubChem CID18313827
Molecular FormulaCH3NO3S
Molecular Weight109.11 g/mol
Exact Mass108.98
IUPAC Nameoxo-(sulfinoamino)methane
SMILESO=CNS(=O)O
InChIInChI=1S/CH3NO3S/c3-1-2-6(4)5/h1H,(H,2,3)(H,4,5)
InChIKeyIXGBAGCESNXMSM-UHFFFAOYSA-N
XLogP-1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.11
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(sulfinoamino)ethene
CID 19593362
CID 149251233
CID 149251233
1-oxo-2-(sulfinoamino)propane
CID 57134062
sodium;formic acid;hydrogen sulfite
CID 158303086
amino(formylimino)methanesulfinic acid
CID 55298737
2-(sulfinoamino)but-2-ene
CID 175142268
N-hydroxyformamide;titanium
CID 174147037
hydron;sulfurous acid
CID 173020149
CID 162004424
CID 162004424
CID 139595971
CID 139595971
phosphane;sulfurous acid
CID 173229936
iron;sulfurous acid
CID 175438968

Frequently Asked Questions

What is the IUPAC name of oxo-(sulfinoamino)methane?
The IUPAC name of oxo-(sulfinoamino)methane (CID 18313827) is oxo-(sulfinoamino)methane.
What is the SMILES notation for oxo-(sulfinoamino)methane?
The canonical SMILES for oxo-(sulfinoamino)methane is O=CNS(=O)O.
What is the InChIKey of oxo-(sulfinoamino)methane?
The InChIKey is IXGBAGCESNXMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO3S/c3-1-2-6(4)5/h1H,(H,2,3)(H,4,5).
What are the key properties of oxo-(sulfinoamino)methane?
oxo-(sulfinoamino)methane has a molecular weight of 109.11 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(sulfinoamino)methane is sourced from PubChem (CID 18313827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).