N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide

C5H10NOPS2 — CID 89034866

IUPACN-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide
SMILESCC(=O)NC(CS)C(P)=S
InChIInChI=1S/C5H10NOPS2/c1-3(7)6-4(2-9)5(8)10/h4,9H,2,8H2,1H3,(H,6,7)
InChIKeyFZBLWBYYAWEUJW-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.62
Rot. Bonds3

About N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide

N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide (PubChem CID 89034866) has the molecular formula C5H10NOPS2 and a molecular weight of 195.25 g/mol. Its IUPAC name is N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide
PubChem CID89034866
Molecular FormulaC5H10NOPS2
Molecular Weight195.25 g/mol
Exact Mass194.99
IUPAC NameN-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide
SMILESCC(=O)NC(CS)C(P)=S
InChIInChI=1S/C5H10NOPS2/c1-3(7)6-4(2-9)5(8)10/h4,9H,2,8H2,1H3,(H,6,7)
InChIKeyFZBLWBYYAWEUJW-UHFFFAOYSA-N
XLogP0.62
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571
2-acetamido-3-sulfanylpropanethioic S-acid
CID 89034608
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)
CID 159067703
lithium 2-acetamido-3-sulfanylpropanoate
CID 87246334
sodium 2-acetamido-3-sulfanylpropanoate
CID 23678797
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate
CID 107770080
3-methoxypropyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775731
1-methoxyethyl 2-acetamido-3-sulfanylpropanoate
CID 163263817

Frequently Asked Questions

What is the IUPAC name of N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide?
The IUPAC name of N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide (CID 89034866) is N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide.
What is the SMILES notation for N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide?
The canonical SMILES for N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide is CC(=O)NC(CS)C(P)=S.
What is the InChIKey of N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide?
The InChIKey is FZBLWBYYAWEUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NOPS2/c1-3(7)6-4(2-9)5(8)10/h4,9H,2,8H2,1H3,(H,6,7).
What are the key properties of N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide?
N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide has a molecular weight of 195.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide is sourced from PubChem (CID 89034866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).