2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine

C8H20NO2PS — CID 523210

IUPAC2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine
SMILESCCOP(=O)(CC)SCCN(C)C
InChIInChI=1S/C8H20NO2PS/c1-5-11-12(10,6-2)13-8-7-9(3)4/h5-8H2,1-4H3
InChIKeyLLMAYCPOBKHQIP-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.53
Rot. Bonds7

About 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine

2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine (PubChem CID 523210) has the molecular formula C8H20NO2PS and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine
PubChem CID523210
Molecular FormulaC8H20NO2PS
Molecular Weight225.29 g/mol
Exact Mass225.10
IUPAC Name2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine
SMILESCCOP(=O)(CC)SCCN(C)C
InChIInChI=1S/C8H20NO2PS/c1-5-11-12(10,6-2)13-8-7-9(3)4/h5-8H2,1-4H3
InChIKeyLLMAYCPOBKHQIP-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.53
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

2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine
CID 126582667
N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine
CID 559672
(1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine
CID 23624184
2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine
CID 546924
2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine
CID 134217980
diethoxy-ethyl-tellanylidene-λ5-phosphane
CID 23600161
carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene
CID 87674337
N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy-pentan-2-yloxyphosphoryl]sulfanylethanamine
CID 130474468
1-chloro-4-[ethoxy(ethyl)phosphoryl]sulfanylbenzene
CID 3046596
1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane
CID 24841778
1-diethoxyphosphoryl-1-methylhydrazine
CID 10773763
CID 87495286
CID 87495286

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine (CID 523210) is 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine is CCOP(=O)(CC)SCCN(C)C.
What is the InChIKey of 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is LLMAYCPOBKHQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO2PS/c1-5-11-12(10,6-2)13-8-7-9(3)4/h5-8H2,1-4H3.
What are the key properties of 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine?
2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 225.29 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 523210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).