ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane

C14H30NO2PS2 — CID 170710776

IUPACethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane
SMILESCC.COP(OC1C(C)SSC1(C)C)N1CCCCC1
InChIInChI=1S/C12H24NO2PS2.C2H6/c1-10-11(12(2,3)18-17-10)15-16(14-4)13-8-6-5-7-9-13;1-2/h10-11H,5-9H2,1-4H3;1-2H3
InChIKeyIBJHZCSHYIXJKX-UHFFFAOYSA-N
MW339.51 g/mol
LogP5.32
Rot. Bonds4

About ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane

ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane (PubChem CID 170710776) has the molecular formula C14H30NO2PS2 and a molecular weight of 339.51 g/mol. Its IUPAC name is ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane.

Molecular Properties

Compound Nameethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane
PubChem CID170710776
Molecular FormulaC14H30NO2PS2
Molecular Weight339.51 g/mol
Exact Mass339.15
IUPAC Nameethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane
SMILESCC.COP(OC1C(C)SSC1(C)C)N1CCCCC1
InChIInChI=1S/C12H24NO2PS2.C2H6/c1-10-11(12(2,3)18-17-10)15-16(14-4)13-8-6-5-7-9-13;1-2/h10-11H,5-9H2,1-4H3;1-2H3
InChIKeyIBJHZCSHYIXJKX-UHFFFAOYSA-N
XLogP5.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.51
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane 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

methoxy(dipyrrolidin-1-yl)phosphane
CID 550752
oxo-sulfido-[(4S,5S)-3,3,5-trimethyldithiolan-4-yl]oxyphosphanium
CID 176588648
4-methoxy-3-methyl-1,2-dithiaspiro[4.4]nonane
CID 170710478
chloro-methoxy-piperidin-1-ylphosphane
CID 86118240
(4R,5S)-3,3,5-trimethyldithiolan-4-ol
CID 170710497
ethane;5-(4-fluorophenyl)-4-methoxy-3,3-dimethyldithiolane
CID 164565367
hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane
CID 170710447
[3-(2-ethylazepan-1-yl)-2-methylthian-3-yl]methanamine
CID 104689394
2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid
CID 21117370
N-(3,3,5-trimethylcyclohexyl)piperidin-1-amine
CID 83006874
copper;1,4-dimethyltriazonane
CID 70252551
1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 159358501

Frequently Asked Questions

What is the IUPAC name of ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane?
The IUPAC name of ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane (CID 170710776) is ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane.
What is the SMILES notation for ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane?
The canonical SMILES for ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane is CC.COP(OC1C(C)SSC1(C)C)N1CCCCC1.
What is the InChIKey of ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane?
The InChIKey is IBJHZCSHYIXJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO2PS2.C2H6/c1-10-11(12(2,3)18-17-10)15-16(14-4)13-8-6-5-7-9-13;1-2/h10-11H,5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane?
ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane has a molecular weight of 339.51 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxy-piperidin-1-yl-(3,3,5-trimethyldithiolan-4-yl)oxyphosphane is sourced from PubChem (CID 170710776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).