aminomethoxymethoxy(dimethyl)sulfanium

C4H12NO2S+ — CID 163553420

IUPACaminomethoxymethoxy(dimethyl)sulfanium
SMILESC[S+](C)OCOCN
InChIInChI=1S/C4H12NO2S/c1-8(2)7-4-6-3-5/h3-5H2,1-2H3/q+1
InChIKeyMBVCDMANMGVUDB-UHFFFAOYSA-N
MW138.21 g/mol
LogP-0.31
Rot. Bonds4

About aminomethoxymethoxy(dimethyl)sulfanium

aminomethoxymethoxy(dimethyl)sulfanium (PubChem CID 163553420) has the molecular formula C4H12NO2S+ and a molecular weight of 138.21 g/mol. Its IUPAC name is aminomethoxymethoxy(dimethyl)sulfanium.

Molecular Properties

Compound Nameaminomethoxymethoxy(dimethyl)sulfanium
PubChem CID163553420
Molecular FormulaC4H12NO2S+
Molecular Weight138.21 g/mol
Exact Mass138.06
IUPAC Nameaminomethoxymethoxy(dimethyl)sulfanium
SMILESC[S+](C)OCOCN
InChIInChI=1S/C4H12NO2S/c1-8(2)7-4-6-3-5/h3-5H2,1-2H3/q+1
InChIKeyMBVCDMANMGVUDB-UHFFFAOYSA-N
XLogP-0.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminomethoxymethoxy(dimethyl)sulfanium?
The IUPAC name of aminomethoxymethoxy(dimethyl)sulfanium (CID 163553420) is aminomethoxymethoxy(dimethyl)sulfanium.
What is the SMILES notation for aminomethoxymethoxy(dimethyl)sulfanium?
The canonical SMILES for aminomethoxymethoxy(dimethyl)sulfanium is C[S+](C)OCOCN.
What is the InChIKey of aminomethoxymethoxy(dimethyl)sulfanium?
The InChIKey is MBVCDMANMGVUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2S/c1-8(2)7-4-6-3-5/h3-5H2,1-2H3/q+1.
What are the key properties of aminomethoxymethoxy(dimethyl)sulfanium?
aminomethoxymethoxy(dimethyl)sulfanium has a molecular weight of 138.21 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethoxymethoxy(dimethyl)sulfanium is sourced from PubChem (CID 163553420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).