N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine

C9H22NO2PS — CID 559672

IUPACN,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine
SMILESCCN(CC)CCSP(=O)(CC)OC
InChIInChI=1S/C9H22NO2PS/c1-5-10(6-2)8-9-14-13(11,7-3)12-4/h5-9H2,1-4H3
InChIKeyMVKMTTUVZUUMGU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.92
Rot. Bonds8

About N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine

N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine (PubChem CID 559672) has the molecular formula C9H22NO2PS and a molecular weight of 239.32 g/mol. Its IUPAC name is N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine
PubChem CID559672
Molecular FormulaC9H22NO2PS
Molecular Weight239.32 g/mol
Exact Mass239.11
IUPAC NameN,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine
SMILESCCN(CC)CCSP(=O)(CC)OC
InChIInChI=1S/C9H22NO2PS/c1-5-10(6-2)8-9-14-13(11,7-3)12-4/h5-9H2,1-4H3
InChIKeyMVKMTTUVZUUMGU-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine?
The IUPAC name of N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine (CID 559672) is N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine.
What is the SMILES notation for N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine?
The canonical SMILES for N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine is CCN(CC)CCSP(=O)(CC)OC.
What is the InChIKey of N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine?
The InChIKey is MVKMTTUVZUUMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO2PS/c1-5-10(6-2)8-9-14-13(11,7-3)12-4/h5-9H2,1-4H3.
What are the key properties of N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine?
N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine is sourced from PubChem (CID 559672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).