N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine

C6H16NO3PS — CID 173285572

IUPACN-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine
SMILESCCNP(=O)(OCC)OSCC
InChIInChI=1S/C6H16NO3PS/c1-4-7-11(8,9-5-2)10-12-6-3/h4-6H2,1-3H3,(H,7,8)
InChIKeyOTQDJRHIGSZZIT-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.43
Rot. Bonds7

About N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine

N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine (PubChem CID 173285572) has the molecular formula C6H16NO3PS and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine.

Molecular Properties

Compound NameN-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine
PubChem CID173285572
Molecular FormulaC6H16NO3PS
Molecular Weight213.24 g/mol
Exact Mass213.06
IUPAC NameN-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine
SMILESCCNP(=O)(OCC)OSCC
InChIInChI=1S/C6H16NO3PS/c1-4-7-11(8,9-5-2)10-12-6-3/h4-6H2,1-3H3,(H,7,8)
InChIKeyOTQDJRHIGSZZIT-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(ethylamino)phosphoryl]acetonitrile
CID 163668716
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656
1-[aziridin-1-yl(ethylsulfanyloxy)phosphoryl]aziridine
CID 163631829
diethyl hydrogen phosphate;scandium
CID 54607585
N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
S-[2-(diethoxyphosphorylamino)ethyl] ethanethioate
CID 21305988
[(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane
CID 86748481
N-[ethoxy(propylamino)phosphoryl]propan-1-amine
CID 13438201
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390
N-diethoxyphosphoryl-1,3-dithietan-2-amine
CID 13363819
ethyl phosphate;N-methylmethanamine
CID 19985438
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine?
The IUPAC name of N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine (CID 173285572) is N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine.
What is the SMILES notation for N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine?
The canonical SMILES for N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine is CCNP(=O)(OCC)OSCC.
What is the InChIKey of N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine?
The InChIKey is OTQDJRHIGSZZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3PS/c1-4-7-11(8,9-5-2)10-12-6-3/h4-6H2,1-3H3,(H,7,8).
What are the key properties of N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine?
N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine has a molecular weight of 213.24 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine is sourced from PubChem (CID 173285572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).