N-methyl-N-sulfinatoethanamine;vanadium;yttrium

C3H7NO2SVY-2 — CID 163688761

IUPACN-methyl-N-sulfinatoethanamine;vanadium;yttrium
SMILES[CH2-]CN(C)[S-](=O)=O.[V].[Y]
InChIInChI=1S/C3H7NO2S.V.Y/c1-3-4(2)7(5)6;;/h1,3H2,2H3;;/q-2;;
InChIKeyFMSHWSRJCUJPSL-UHFFFAOYSA-N
MW261.01 g/mol
LogP-0.03
Rot. Bonds2

About N-methyl-N-sulfinatoethanamine;vanadium;yttrium

N-methyl-N-sulfinatoethanamine;vanadium;yttrium (PubChem CID 163688761) has the molecular formula C3H7NO2SVY-2 and a molecular weight of 261.01 g/mol. Its IUPAC name is N-methyl-N-sulfinatoethanamine;vanadium;yttrium.

Molecular Properties

Compound NameN-methyl-N-sulfinatoethanamine;vanadium;yttrium
PubChem CID163688761
Molecular FormulaC3H7NO2SVY-2
Molecular Weight261.01 g/mol
Exact Mass260.87
IUPAC NameN-methyl-N-sulfinatoethanamine;vanadium;yttrium
SMILES[CH2-]CN(C)[S-](=O)=O.[V].[Y]
InChIInChI=1S/C3H7NO2S.V.Y/c1-3-4(2)7(5)6;;/h1,3H2,2H3;;/q-2;;
InChIKeyFMSHWSRJCUJPSL-UHFFFAOYSA-N
XLogP-0.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.01
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-sulfinatoethanamine;vanadium;yttrium?
The IUPAC name of N-methyl-N-sulfinatoethanamine;vanadium;yttrium (CID 163688761) is N-methyl-N-sulfinatoethanamine;vanadium;yttrium.
What is the SMILES notation for N-methyl-N-sulfinatoethanamine;vanadium;yttrium?
The canonical SMILES for N-methyl-N-sulfinatoethanamine;vanadium;yttrium is [CH2-]CN(C)[S-](=O)=O.[V].[Y].
What is the InChIKey of N-methyl-N-sulfinatoethanamine;vanadium;yttrium?
The InChIKey is FMSHWSRJCUJPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S.V.Y/c1-3-4(2)7(5)6;;/h1,3H2,2H3;;/q-2;;.
What are the key properties of N-methyl-N-sulfinatoethanamine;vanadium;yttrium?
N-methyl-N-sulfinatoethanamine;vanadium;yttrium has a molecular weight of 261.01 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-sulfinatoethanamine;vanadium;yttrium is sourced from PubChem (CID 163688761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).