2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide

C6H12NO4PS2 — CID 171381691

IUPAC2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])N(C=O)C(=O)CSP(=S)(OC)OC
InChIInChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3/i1D3
InChIKeyAIKKULXCBHRFOS-FIBGUPNXSA-N
MW260.29 g/mol
LogP0.85
Rot. Bonds7

About 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide

2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide (PubChem CID 171381691) has the molecular formula C6H12NO4PS2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide.

Molecular Properties

Compound Name2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide
PubChem CID171381691
Molecular FormulaC6H12NO4PS2
Molecular Weight260.29 g/mol
Exact Mass260.01
IUPAC Name2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])N(C=O)C(=O)CSP(=S)(OC)OC
InChIInChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3/i1D3
InChIKeyAIKKULXCBHRFOS-FIBGUPNXSA-N
XLogP0.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-dimethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide
CID 118996707
2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-methylacetamide
CID 87565418
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol
CID 175463799
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;hydrate
CID 121304179
ethyl N-[2-[bis(1,1,2,2,2-pentadeuterioethoxy)phosphinothioylsulfanyl]acetyl]-N-methylcarbamate
CID 129318199
ethyl 2-diethoxyphosphinothioylsulfanylacetate
CID 13524
methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate
CID 101152507
N-formyl-N-methyl-3-sulfanylidenepropanamide
CID 123392324
dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
CID 87893678
2-ethoxy-N-formyl-N-methylacetamide
CID 174934557
4-(2-chlorophenyl)-N-(dimethoxyphosphinothioylsulfanylmethyl)butanamide
CID 88595925
methyl 3-dimethoxyphosphinothioylsulfanylbutanoate
CID 123905574

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide?
The IUPAC name of 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide (CID 171381691) is 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide.
What is the SMILES notation for 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide?
The canonical SMILES for 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide is [2H]C([2H])([2H])N(C=O)C(=O)CSP(=S)(OC)OC.
What is the InChIKey of 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide?
The InChIKey is AIKKULXCBHRFOS-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3/i1D3.
What are the key properties of 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide?
2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide has a molecular weight of 260.29 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-(trideuteriomethyl)acetamide is sourced from PubChem (CID 171381691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).