methoxy-[methyl(sulfinato)amino]-oxomethane

C3H6NO4S- — CID 57041813

IUPACmethoxy-[methyl(sulfinato)amino]-oxomethane
SMILESCOC(=O)N(C)S(=O)[O-]
InChIInChI=1S/C3H7NO4S/c1-4(9(6)7)3(5)8-2/h1-2H3,(H,6,7)/p-1
InChIKeyYLVBQEMHCCTLTM-UHFFFAOYSA-M
MW152.15 g/mol
LogP-0.52
Rot. Bonds1

About methoxy-[methyl(sulfinato)amino]-oxomethane

methoxy-[methyl(sulfinato)amino]-oxomethane (PubChem CID 57041813) has the molecular formula C3H6NO4S- and a molecular weight of 152.15 g/mol. Its IUPAC name is methoxy-[methyl(sulfinato)amino]-oxomethane.

Molecular Properties

Compound Namemethoxy-[methyl(sulfinato)amino]-oxomethane
PubChem CID57041813
Molecular FormulaC3H6NO4S-
Molecular Weight152.15 g/mol
Exact Mass152.00
IUPAC Namemethoxy-[methyl(sulfinato)amino]-oxomethane
SMILESCOC(=O)N(C)S(=O)[O-]
InChIInChI=1S/C3H7NO4S/c1-4(9(6)7)3(5)8-2/h1-2H3,(H,6,7)/p-1
InChIKeyYLVBQEMHCCTLTM-UHFFFAOYSA-M
XLogP-0.52
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-[methyl(sulfinato)amino]-oxomethane?
The IUPAC name of methoxy-[methyl(sulfinato)amino]-oxomethane (CID 57041813) is methoxy-[methyl(sulfinato)amino]-oxomethane.
What is the SMILES notation for methoxy-[methyl(sulfinato)amino]-oxomethane?
The canonical SMILES for methoxy-[methyl(sulfinato)amino]-oxomethane is COC(=O)N(C)S(=O)[O-].
What is the InChIKey of methoxy-[methyl(sulfinato)amino]-oxomethane?
The InChIKey is YLVBQEMHCCTLTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO4S/c1-4(9(6)7)3(5)8-2/h1-2H3,(H,6,7)/p-1.
What are the key properties of methoxy-[methyl(sulfinato)amino]-oxomethane?
methoxy-[methyl(sulfinato)amino]-oxomethane has a molecular weight of 152.15 g/mol, XLogP of -0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[methyl(sulfinato)amino]-oxomethane is sourced from PubChem (CID 57041813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).