2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol

C6H16NO2PS — CID 23534642

IUPAC2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol
SMILESCCOP(=O)(CC)NCCS
InChIInChI=1S/C6H16NO2PS/c1-3-9-10(8,4-2)7-5-6-11/h11H,3-6H2,1-2H3,(H,7,8)
InChIKeyXASMWSMZRGRBGD-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.76
Rot. Bonds6

About 2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol

2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol (PubChem CID 23534642) has the molecular formula C6H16NO2PS and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol.

Molecular Properties

Compound Name2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol
PubChem CID23534642
Molecular FormulaC6H16NO2PS
Molecular Weight197.24 g/mol
Exact Mass197.06
IUPAC Name2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol
SMILESCCOP(=O)(CC)NCCS
InChIInChI=1S/C6H16NO2PS/c1-3-9-10(8,4-2)7-5-6-11/h11H,3-6H2,1-2H3,(H,7,8)
InChIKeyXASMWSMZRGRBGD-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine
CID 88863403
N-[ethoxy(ethyl)phosphoryl]methanamine
CID 165354105
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656
2-[ethoxy(ethylamino)phosphoryl]acetonitrile
CID 163668716
methyl-(2-sulfanylethylamino)phosphinate
CID 58692168
N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine
CID 87075379
N-[ethoxy(propylamino)phosphoryl]propan-1-amine
CID 13438201
diaminophosphoryloxyethane
CID 12620494
N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine
CID 88586309
N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine
CID 126542293
N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide
CID 2337856

Frequently Asked Questions

What is the IUPAC name of 2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol?
The IUPAC name of 2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol (CID 23534642) is 2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol.
What is the SMILES notation for 2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol?
The canonical SMILES for 2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol is CCOP(=O)(CC)NCCS.
What is the InChIKey of 2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol?
The InChIKey is XASMWSMZRGRBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO2PS/c1-3-9-10(8,4-2)7-5-6-11/h11H,3-6H2,1-2H3,(H,7,8).
What are the key properties of 2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol?
2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol has a molecular weight of 197.24 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol is sourced from PubChem (CID 23534642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).