2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone

C8H16NO4PS2 — CID 8952

IUPAC2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone
SMILESCOP(=S)(OC)SCC(=O)N1CCOCC1
InChIInChI=1S/C8H16NO4PS2/c1-11-14(15,12-2)16-7-8(10)9-3-5-13-6-4-9/h3-7H2,1-2H3
InChIKeyNTHGWXIWFHGPLK-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.10
Rot. Bonds5

About 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone

2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone (PubChem CID 8952) has the molecular formula C8H16NO4PS2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone
PubChem CID8952
Molecular FormulaC8H16NO4PS2
Molecular Weight285.33 g/mol
Exact Mass285.03
IUPAC Name2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone
SMILESCOP(=S)(OC)SCC(=O)N1CCOCC1
InChIInChI=1S/C8H16NO4PS2/c1-11-14(15,12-2)16-7-8(10)9-3-5-13-6-4-9/h3-7H2,1-2H3
InChIKeyNTHGWXIWFHGPLK-UHFFFAOYSA-N
XLogP1.10
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone (CID 8952) is 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone is COP(=S)(OC)SCC(=O)N1CCOCC1.
What is the InChIKey of 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone?
The InChIKey is NTHGWXIWFHGPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO4PS2/c1-11-14(15,12-2)16-7-8(10)9-3-5-13-6-4-9/h3-7H2,1-2H3.
What are the key properties of 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone?
2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone has a molecular weight of 285.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 8952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).