2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide

C6H14NO4PS2 — CID 87565418

IUPAC2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CSP(=S)(OC)OC
InChIInChI=1S/C6H14NO4PS2/c1-7(9-2)6(8)5-14-12(13,10-3)11-4/h5H2,1-4H3
InChIKeyGWJZIKIMGCYTDH-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.26
Rot. Bonds6

About 2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide

2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide (PubChem CID 87565418) has the molecular formula C6H14NO4PS2 and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide
PubChem CID87565418
Molecular FormulaC6H14NO4PS2
Molecular Weight259.29 g/mol
Exact Mass259.01
IUPAC Name2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CSP(=S)(OC)OC
InChIInChI=1S/C6H14NO4PS2/c1-7(9-2)6(8)5-14-12(13,10-3)11-4/h5H2,1-4H3
InChIKeyGWJZIKIMGCYTDH-UHFFFAOYSA-N
XLogP1.26
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide?
The IUPAC name of 2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide (CID 87565418) is 2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide is CON(C)C(=O)CSP(=S)(OC)OC.
What is the InChIKey of 2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide?
The InChIKey is GWJZIKIMGCYTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4PS2/c1-7(9-2)6(8)5-14-12(13,10-3)11-4/h5H2,1-4H3.
What are the key properties of 2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide?
2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide has a molecular weight of 259.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide is sourced from PubChem (CID 87565418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).