methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium

C7H14N2O4PS2+ — CID 151204970

IUPACmethoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium
SMILESCOCS[P+](=O)CNC(=O)ON=C(C)SC
InChIInChI=1S/C7H13N2O4PS2/c1-6(15-3)9-13-7(10)8-4-14(11)16-5-12-2/h4-5H2,1-3H3/p+1
InChIKeyHGZLXSSCSVUTAD-UHFFFAOYSA-O
MW285.31 g/mol
LogP2.45
Rot. Bonds6

About methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium

methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium (PubChem CID 151204970) has the molecular formula C7H14N2O4PS2+ and a molecular weight of 285.31 g/mol. Its IUPAC name is methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium.

Molecular Properties

Compound Namemethoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium
PubChem CID151204970
Molecular FormulaC7H14N2O4PS2+
Molecular Weight285.31 g/mol
Exact Mass285.01
IUPAC Namemethoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium
SMILESCOCS[P+](=O)CNC(=O)ON=C(C)SC
InChIInChI=1S/C7H13N2O4PS2/c1-6(15-3)9-13-7(10)8-4-14(11)16-5-12-2/h4-5H2,1-3H3/p+1
InChIKeyHGZLXSSCSVUTAD-UHFFFAOYSA-O
XLogP2.45
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (1E)-N-(butylcarbamoyloxy)ethanimidothioate
CID 6454409
methyl N-(methylcarbamoyloxy)ethanimidothioate
CID 4109
methyl (1E)-N-[[(2,6-dichlorobenzoyl)-methylamino]sulfanylmethylcarbamoyloxy]ethanimidothioate
CID 177462973
methyl (1Z)-N-[[ethoxycarbonyl(methyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
CID 5486289
methyl N-[[[methoxy(phenyl)phosphinothioyl]-methylamino]sulfanylmethylcarbamoyloxy]ethanimidothioate
CID 148919711
methyl (1E)-N-[[methyl-(2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)amino]sulfanylmethylcarbamoyloxy]ethanimidothioate
CID 88618034
[(1-dimethoxyphosphinothioylcyclohexyl)amino]-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxidosulfanium
CID 173428184
ethyl 3-[2-methoxyethyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylamino]propanoate
CID 54263353
methyl (1E)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
CID 5360870
methyl (1E)-N-[[benzyl-[ethoxy(phenyl)phosphinothioyl]amino]sulfanylmethylcarbamoyloxy]ethanimidothioate
CID 88776706
ethyl N-(methylcarbamoyloxy)ethanimidothioate
CID 29861
ethyl 3-[butyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylamino]propanoate
CID 139663860

Frequently Asked Questions

What is the IUPAC name of methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium?
The IUPAC name of methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium (CID 151204970) is methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium.
What is the SMILES notation for methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium?
The canonical SMILES for methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium is COCS[P+](=O)CNC(=O)ON=C(C)SC.
What is the InChIKey of methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium?
The InChIKey is HGZLXSSCSVUTAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N2O4PS2/c1-6(15-3)9-13-7(10)8-4-14(11)16-5-12-2/h4-5H2,1-3H3/p+1.
What are the key properties of methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium?
methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium has a molecular weight of 285.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylsulfanyl-[[(1-methylsulfanylethylideneamino)oxycarbonylamino]methyl]-oxophosphanium is sourced from PubChem (CID 151204970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).