2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine

C11H26NO2PS — CID 126582667

IUPAC2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine
SMILESCCC[P@@](=O)(OCC)SCCN(CC)CC
InChIInChI=1S/C11H26NO2PS/c1-5-10-15(13,14-8-4)16-11-9-12(6-2)7-3/h5-11H2,1-4H3/t15-/m1/s1
InChIKeyJRIDOMZHFGTWAR-OAHLLOKOSA-N
MW267.37 g/mol
LogP3.70
Rot. Bonds10

About 2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine

2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine (PubChem CID 126582667) has the molecular formula C11H26NO2PS and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine
PubChem CID126582667
Molecular FormulaC11H26NO2PS
Molecular Weight267.37 g/mol
Exact Mass267.14
IUPAC Name2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine
SMILESCCC[P@@](=O)(OCC)SCCN(CC)CC
InChIInChI=1S/C11H26NO2PS/c1-5-10-15(13,14-8-4)16-11-9-12(6-2)7-3/h5-11H2,1-4H3/t15-/m1/s1
InChIKeyJRIDOMZHFGTWAR-OAHLLOKOSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine
CID 559672
carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene
CID 87674337
2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine
CID 523210
2-[decoxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine
CID 559681
(1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine
CID 23624184
2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride
CID 131886661
carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine
CID 173456241
2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane
CID 71385662
[diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium
CID 172865589
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
2-deuterio-1-diethoxyphosphorylbutane
CID 102385353

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine?
The IUPAC name of 2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine (CID 126582667) is 2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine.
What is the SMILES notation for 2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine?
The canonical SMILES for 2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine is CCC[P@@](=O)(OCC)SCCN(CC)CC.
What is the InChIKey of 2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine?
The InChIKey is JRIDOMZHFGTWAR-OAHLLOKOSA-N. The full InChI is InChI=1S/C11H26NO2PS/c1-5-10-15(13,14-8-4)16-11-9-12(6-2)7-3/h5-11H2,1-4H3/t15-/m1/s1.
What are the key properties of 2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine?
2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine is sourced from PubChem (CID 126582667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).