acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane

C7H18NO4PS — CID 88762245

IUPACacetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane
SMILESCC(N)=O.CCCCCOP(O)(O)=S
InChIInChI=1S/C5H13O3PS.C2H5NO/c1-2-3-4-5-8-9(6,7)10;1-2(3)4/h2-5H2,1H3,(H2,6,7,10);1H3,(H2,3,4)
InChIKeyPQVDOKDJVWFKSA-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.89
Rot. Bonds5

About acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane

acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane (PubChem CID 88762245) has the molecular formula C7H18NO4PS and a molecular weight of 243.26 g/mol. Its IUPAC name is acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameacetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane
PubChem CID88762245
Molecular FormulaC7H18NO4PS
Molecular Weight243.26 g/mol
Exact Mass243.07
IUPAC Nameacetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane
SMILESCC(N)=O.CCCCCOP(O)(O)=S
InChIInChI=1S/C5H13O3PS.C2H5NO/c1-2-3-4-5-8-9(6,7)10;1-2(3)4/h2-5H2,1H3,(H2,6,7,10);1H3,(H2,3,4)
InChIKeyPQVDOKDJVWFKSA-UHFFFAOYSA-N
XLogP0.89
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

18-dihydroxyphosphinothioyloxyoctadecyl 2-methylprop-2-enoate
CID 22708493
dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane
CID 76673105
dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane
CID 58049488
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
acetic acid;dioctyl hydrogen phosphate
CID 175176967
[dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum
CID 175308885
fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane
CID 87279187
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
octatriacontyl dihydrogen phosphate
CID 140979287
pentatriacontyl dihydrogen phosphate
CID 164897229

Frequently Asked Questions

What is the IUPAC name of acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane (CID 88762245) is acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane is CC(N)=O.CCCCCOP(O)(O)=S.
What is the InChIKey of acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane?
The InChIKey is PQVDOKDJVWFKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3PS.C2H5NO/c1-2-3-4-5-8-9(6,7)10;1-2(3)4/h2-5H2,1H3,(H2,6,7,10);1H3,(H2,3,4).
What are the key properties of acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane?
acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane has a molecular weight of 243.26 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88762245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).