[cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid

C6H15NO5P2S — CID 87475526

IUPAC[cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid
SMILESO=P(O)(O)N(C1CCCCC1)P(O)(O)=S
InChIInChI=1S/C6H15NO5P2S/c8-13(9,10)7(14(11,12)15)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9,10)(H2,11,12,15)
InChIKeyAVRKKMNXMRQVOW-UHFFFAOYSA-N
MW275.20 g/mol
LogP0.92
Rot. Bonds3

About [cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid

[cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid (PubChem CID 87475526) has the molecular formula C6H15NO5P2S and a molecular weight of 275.20 g/mol. Its IUPAC name is [cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid.

Molecular Properties

Compound Name[cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid
PubChem CID87475526
Molecular FormulaC6H15NO5P2S
Molecular Weight275.20 g/mol
Exact Mass275.01
IUPAC Name[cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid
SMILESO=P(O)(O)N(C1CCCCC1)P(O)(O)=S
InChIInChI=1S/C6H15NO5P2S/c8-13(9,10)7(14(11,12)15)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9,10)(H2,11,12,15)
InChIKeyAVRKKMNXMRQVOW-UHFFFAOYSA-N
XLogP0.92
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[cyclohexyl(phosphonooxymethyl)amino]methyl dihydrogen phosphate
CID 20776546
dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane
CID 14249029
di(cyclooctyl)phosphinic acid
CID 15243623
2-(dicyclohexylamino)ethyl dihydrogen phosphate
CID 90860434
N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
1,1,3,3-tetracyclohexylthiourea
CID 12935848
cyclohexane;phosphoric acid
CID 66712199
N-cyclohexylacetohydrazide
CID 89012430
[(2-methylpiperidin-1-ium-1-yl)-phosphonomethyl]phosphonic acid
CID 5276559
N,N-dicyclohexylcyclohexanamine
CID 175770337
1-cycloheptyl-1,2,2-tricyclohexylhydrazine
CID 139397453
boric acid;tris(N,N-dimethylcyclohexanamine)
CID 172846334

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid?
The IUPAC name of [cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid (CID 87475526) is [cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid.
What is the SMILES notation for [cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid?
The canonical SMILES for [cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid is O=P(O)(O)N(C1CCCCC1)P(O)(O)=S.
What is the InChIKey of [cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid?
The InChIKey is AVRKKMNXMRQVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO5P2S/c8-13(9,10)7(14(11,12)15)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9,10)(H2,11,12,15).
What are the key properties of [cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid?
[cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid has a molecular weight of 275.20 g/mol, XLogP of 0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid is sourced from PubChem (CID 87475526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).