Amiton

C10H24NO3PS — CID 6542

IUPAC2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSP(=O)(OCC)OCC
InChIInChI=1S/C10H24NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h5-10H2,1-4H3
InChIKeyPJISLFCKHOHLLP-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.70
Rot. Bonds10

About Amiton

Amiton (PubChem CID 6542) has the molecular formula C10H24NO3PS and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine.

Molecular Properties

Compound NameAmiton
PubChem CID6542
Molecular FormulaC10H24NO3PS
Molecular Weight269.34 g/mol
Exact Mass269.12
IUPAC Name2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSP(=O)(OCC)OCC
InChIInChI=1S/C10H24NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h5-10H2,1-4H3
InChIKeyPJISLFCKHOHLLP-UHFFFAOYSA-N
XLogP1.70
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity202

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Phosphonothioic acid, methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester
CID 39793
Echothiophate Iodide
CID 10547
Echothiophate
CID 10548
S-(2-(Dimethylamino)ethyl) O,O-diethyl phosphorothioate
CID 68053
S-(2-(Diethylamino)ethyl) O-(2-methylpropyl) P-methylphosphonothioate
CID 178033
S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate
CID 30800
S-(2-(Dimethylamino)ethyl) O-ethyl P-methylphosphonothioate
CID 102302
Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester
CID 3041824
2-(Butoxy(methyl)phosphoryl)sulfanyl-N,N-diethylethanamine
CID 559704
S-[2-(Diisopropylamino)ethyl] o-methyl methylphosphonothioate
CID 574995
S-(2-(Diethylamino)ethyl) O-ethyl P-ethylphosphonothioate
CID 65568
Phosphorothioic acid, S-(2-diisopropylaminoethyl) O,O-cyclic trimethylene ester
CID 3041825

Frequently Asked Questions

What is the IUPAC name of Amiton?
The IUPAC name of Amiton (CID 6542) is 2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine.
What is the SMILES notation for Amiton?
The canonical SMILES for Amiton is CCN(CC)CCSP(=O)(OCC)OCC.
What is the InChIKey of Amiton?
The InChIKey is PJISLFCKHOHLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h5-10H2,1-4H3.
What are the key properties of Amiton?
Amiton has a molecular weight of 269.34 g/mol, XLogP of 1.70, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Amiton is sourced from PubChem (CID 6542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).