cyano-(sulfinatoamino)methane

C2H3N2O2S- — CID 58899516

IUPACcyano-(sulfinatoamino)methane
SMILESN#CCNS(=O)[O-]
InChIInChI=1S/C2H4N2O2S/c3-1-2-4-7(5)6/h4H,2H2,(H,5,6)/p-1
InChIKeyDLFGZIVXSBTUGW-UHFFFAOYSA-M
MW119.12 g/mol
LogP-1.11
Rot. Bonds2

About cyano-(sulfinatoamino)methane

cyano-(sulfinatoamino)methane (PubChem CID 58899516) has the molecular formula C2H3N2O2S- and a molecular weight of 119.12 g/mol. Its IUPAC name is cyano-(sulfinatoamino)methane.

Molecular Properties

Compound Namecyano-(sulfinatoamino)methane
PubChem CID58899516
Molecular FormulaC2H3N2O2S-
Molecular Weight119.12 g/mol
Exact Mass118.99
IUPAC Namecyano-(sulfinatoamino)methane
SMILESN#CCNS(=O)[O-]
InChIInChI=1S/C2H4N2O2S/c3-1-2-4-7(5)6/h4H,2H2,(H,5,6)/p-1
InChIKeyDLFGZIVXSBTUGW-UHFFFAOYSA-M
XLogP-1.11
TPSA75.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azanylidyne-(sulfinatoamino)methane
CID 54331989
(sulfinatoamino)methylsulfonylethane
CID 91198760
1-methoxy-1-oxo-3-(sulfinatoamino)propane
CID 91063569
4-(sulfinatoamino)but-1-yne
CID 91032823
1-oxo-2-(sulfinatoamino)ethane
CID 89216073
1-[(sulfinatoamino)methoxy]propane
CID 123513637
3-methyl-1-(sulfinatoamino)but-2-ene
CID 175175707
1,1-dihydroxy-2-(sulfinatoamino)ethane
CID 91361283
(sulfinatoamino)oxymethane
CID 21394688
2-(aminomethylamino)acetonitrile
CID 54405021
CID 87376343
CID 87376343
magnesium methyl sulfite
CID 88792923

Frequently Asked Questions

What is the IUPAC name of cyano-(sulfinatoamino)methane?
The IUPAC name of cyano-(sulfinatoamino)methane (CID 58899516) is cyano-(sulfinatoamino)methane.
What is the SMILES notation for cyano-(sulfinatoamino)methane?
The canonical SMILES for cyano-(sulfinatoamino)methane is N#CCNS(=O)[O-].
What is the InChIKey of cyano-(sulfinatoamino)methane?
The InChIKey is DLFGZIVXSBTUGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4N2O2S/c3-1-2-4-7(5)6/h4H,2H2,(H,5,6)/p-1.
What are the key properties of cyano-(sulfinatoamino)methane?
cyano-(sulfinatoamino)methane has a molecular weight of 119.12 g/mol, XLogP of -1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyano-(sulfinatoamino)methane is sourced from PubChem (CID 58899516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).