[(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate

C10H23N4O5PS — CID 139651681

IUPAC[(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate
SMILESCC1(C)CCCC(C)(C)N1ON(NC(N)=S)OP(=O)(O)O
InChIInChI=1S/C10H23N4O5PS/c1-9(2)6-5-7-10(3,4)13(9)18-14(12-8(11)21)19-20(15,16)17/h5-7H2,1-4H3,(H3,11,12,21)(H2,15,16,17)
InChIKeyGKEOTFKKOLEPLS-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.95
Rot. Bonds5

About [(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate

[(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate (PubChem CID 139651681) has the molecular formula C10H23N4O5PS and a molecular weight of 342.36 g/mol. Its IUPAC name is [(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate.

Molecular Properties

Compound Name[(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate
PubChem CID139651681
Molecular FormulaC10H23N4O5PS
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name[(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate
SMILESCC1(C)CCCC(C)(C)N1ON(NC(N)=S)OP(=O)(O)O
InChIInChI=1S/C10H23N4O5PS/c1-9(2)6-5-7-10(3,4)13(9)18-14(12-8(11)21)19-20(15,16)17/h5-7H2,1-4H3,(H3,11,12,21)(H2,15,16,17)
InChIKeyGKEOTFKKOLEPLS-UHFFFAOYSA-N
XLogP0.95
TPSA120.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate 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

1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea
CID 154084290
(2,2,6,6-tetramethylpiperidin-1-yl) N,N-dimethylcarbamate
CID 10242897
(2,2,6,6-tetramethylpiperidin-1-yl) N-methylcarbamate
CID 167207080
CID 66782891
CID 66782891
dimethyl (2,2,6,6-tetramethylpiperidin-1-yl) phosphate
CID 100962421
2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine
CID 87238095
(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen carbonate
CID 22150807
N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyformamide
CID 57284527
1-methoxy-2,2,6,6-tetramethylpiperidine
CID 5074768
(1-methylcyclohexyl)phosphonic acid
CID 154345979
3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol
CID 91549508
tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite
CID 22420378

Frequently Asked Questions

What is the IUPAC name of [(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate?
The IUPAC name of [(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate (CID 139651681) is [(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate.
What is the SMILES notation for [(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate?
The canonical SMILES for [(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate is CC1(C)CCCC(C)(C)N1ON(NC(N)=S)OP(=O)(O)O.
What is the InChIKey of [(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate?
The InChIKey is GKEOTFKKOLEPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N4O5PS/c1-9(2)6-5-7-10(3,4)13(9)18-14(12-8(11)21)19-20(15,16)17/h5-7H2,1-4H3,(H3,11,12,21)(H2,15,16,17).
What are the key properties of [(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate?
[(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate has a molecular weight of 342.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate is sourced from PubChem (CID 139651681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).