N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine

C11H18NOPS — CID 12584057

IUPACN-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine
SMILESCCN(CC)P(=S)(OC)c1ccccc1
InChIInChI=1S/C11H18NOPS/c1-4-12(5-2)14(15,13-3)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeyBSCVSORDVRSRKK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.61
Rot. Bonds5

About N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine

N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine (PubChem CID 12584057) has the molecular formula C11H18NOPS and a molecular weight of 243.31 g/mol. Its IUPAC name is N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine
PubChem CID12584057
Molecular FormulaC11H18NOPS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC NameN-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine
SMILESCCN(CC)P(=S)(OC)c1ccccc1
InChIInChI=1S/C11H18NOPS/c1-4-12(5-2)14(15,13-3)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeyBSCVSORDVRSRKK-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane
CID 12650712
benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 598912
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
2-diphenylphosphinothioyl-N,N-diethylpropanamide
CID 2828065
methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane
CID 54357760
diphenylphosphinothioylimino-methoxy-diphenyl-λ5-phosphane
CID 23418380
tris(ethyl-phenyl-sulfanylidene-sulfido-λ5-phosphane);zirconium(3+)
CID 174385466
N-benzyl-N-diethoxyphosphorylethanamine
CID 13268716
N-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)-phenylphosphinothioyl]ethanamine
CID 3634116
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
CID 16745118
CID 16745118
N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
CID 15785709

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine?
The IUPAC name of N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine (CID 12584057) is N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine?
The canonical SMILES for N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine is CCN(CC)P(=S)(OC)c1ccccc1.
What is the InChIKey of N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine?
The InChIKey is BSCVSORDVRSRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NOPS/c1-4-12(5-2)14(15,13-3)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine?
N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine is sourced from PubChem (CID 12584057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).