1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium

C5H12N2OPS+ — CID 138483592

IUPAC1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium
SMILESC=NN(C)[P+](=S)C(C)OC
InChIInChI=1S/C5H12N2OPS/c1-5(8-4)9(10)7(3)6-2/h5H,2H2,1,3-4H3/q+1
InChIKeyXNDVEMYGWFYHJK-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.38
Rot. Bonds4

About 1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium

1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium (PubChem CID 138483592) has the molecular formula C5H12N2OPS+ and a molecular weight of 179.20 g/mol. Its IUPAC name is 1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium.

Molecular Properties

Compound Name1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium
PubChem CID138483592
Molecular FormulaC5H12N2OPS+
Molecular Weight179.20 g/mol
Exact Mass179.04
IUPAC Name1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium
SMILESC=NN(C)[P+](=S)C(C)OC
InChIInChI=1S/C5H12N2OPS/c1-5(8-4)9(10)7(3)6-2/h5H,2H2,1,3-4H3/q+1
InChIKeyXNDVEMYGWFYHJK-UHFFFAOYSA-N
XLogP1.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-methoxyethylphosphane
CID 18189169
1-fluoro-N-methyl-N-(methylideneamino)ethanamine
CID 167186063
(1S)-1-methoxy-N,N-dimethylethanamine
CID 89341126
N-[(2S)-2-methoxypropyl]methanimine
CID 149294399
2-deuterio-2-methoxybutane
CID 59893079
[[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane
CID 163823086
N-methoxymethanimine
CID 12869424
1,1-dimethoxy-N,N-dimethylmethanamine;ethane
CID 91602918
1,1-dimethoxyethane;trichloroniobium
CID 19377144
N-ethenyl-1-methoxyethanamine
CID 134202269
(Z)-N'-methyl-N'-(methylideneamino)ethene-1,2-diamine
CID 154475893
ethane;4-methoxy-N-methyl-N-propylbutan-2-amine
CID 153329732

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium?
The IUPAC name of 1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium (CID 138483592) is 1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium.
What is the SMILES notation for 1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium?
The canonical SMILES for 1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium is C=NN(C)[P+](=S)C(C)OC.
What is the InChIKey of 1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium?
The InChIKey is XNDVEMYGWFYHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OPS/c1-5(8-4)9(10)7(3)6-2/h5H,2H2,1,3-4H3/q+1.
What are the key properties of 1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium?
1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium has a molecular weight of 179.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium is sourced from PubChem (CID 138483592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).