rutherfordium;1-(sulfinatoamino)propan-2-one

C3H6NO3RfS- — CID 173493730

IUPACrutherfordium;1-(sulfinatoamino)propan-2-one
SMILESCC(=O)CN[S-](=O)=O.[Rf]
InChIInChI=1S/C3H6NO3S.Rf/c1-3(5)2-4-8(6)7;/h2H2,1H3,(H,4,6,7);/q-1;
InChIKeyFHKHTDOLUGDEGL-UHFFFAOYSA-N
MW403.15 g/mol
LogP-0.61
Rot. Bonds3

About rutherfordium;1-(sulfinatoamino)propan-2-one

rutherfordium;1-(sulfinatoamino)propan-2-one (PubChem CID 173493730) has the molecular formula C3H6NO3RfS- and a molecular weight of 403.15 g/mol. Its IUPAC name is rutherfordium;1-(sulfinatoamino)propan-2-one.

Molecular Properties

Compound Namerutherfordium;1-(sulfinatoamino)propan-2-one
PubChem CID173493730
Molecular FormulaC3H6NO3RfS-
Molecular Weight403.15 g/mol
Exact Mass403.13
IUPAC Namerutherfordium;1-(sulfinatoamino)propan-2-one
SMILESCC(=O)CN[S-](=O)=O.[Rf]
InChIInChI=1S/C3H6NO3S.Rf/c1-3(5)2-4-8(6)7;/h2H2,1H3,(H,4,6,7);/q-1;
InChIKeyFHKHTDOLUGDEGL-UHFFFAOYSA-N
XLogP-0.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.15
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of rutherfordium;1-(sulfinatoamino)propan-2-one?
The IUPAC name of rutherfordium;1-(sulfinatoamino)propan-2-one (CID 173493730) is rutherfordium;1-(sulfinatoamino)propan-2-one.
What is the SMILES notation for rutherfordium;1-(sulfinatoamino)propan-2-one?
The canonical SMILES for rutherfordium;1-(sulfinatoamino)propan-2-one is CC(=O)CN[S-](=O)=O.[Rf].
What is the InChIKey of rutherfordium;1-(sulfinatoamino)propan-2-one?
The InChIKey is FHKHTDOLUGDEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3S.Rf/c1-3(5)2-4-8(6)7;/h2H2,1H3,(H,4,6,7);/q-1;.
What are the key properties of rutherfordium;1-(sulfinatoamino)propan-2-one?
rutherfordium;1-(sulfinatoamino)propan-2-one has a molecular weight of 403.15 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for rutherfordium;1-(sulfinatoamino)propan-2-one is sourced from PubChem (CID 173493730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).