N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine

C18H24NO3PS2 — CID 15785710

IUPACN-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOP(=O)(OC)N(CCSc1ccccc1)CCSc1ccccc1
InChIInChI=1S/C18H24NO3PS2/c1-21-23(20,22-2)19(13-15-24-17-9-5-3-6-10-17)14-16-25-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyILBIIGCSFWDZAM-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.27
Rot. Bonds11

About N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine

N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 15785710) has the molecular formula C18H24NO3PS2 and a molecular weight of 397.50 g/mol. Its IUPAC name is N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound NameN-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID15785710
Molecular FormulaC18H24NO3PS2
Molecular Weight397.50 g/mol
Exact Mass397.09
IUPAC NameN-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOP(=O)(OC)N(CCSc1ccccc1)CCSc1ccccc1
InChIInChI=1S/C18H24NO3PS2/c1-21-23(20,22-2)19(13-15-24-17-9-5-3-6-10-17)14-16-25-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyILBIIGCSFWDZAM-UHFFFAOYSA-N
XLogP5.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
CID 15785709
N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine
CID 78993247
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
CID 15762909
2-[bis(2-phenylsulfanylethyl)phosphoryl]ethylsulfanylbenzene
CID 71359429
2-methyl-2-[methyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79228537
N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
CID 10566222
methyl 4-[methyl(2-phenylsulfanylethyl)amino]butanoate
CID 62013452
2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide
CID 131916444
2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685
N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 78962431
1-methoxy-2-(2-phenylsulfanylethyl)benzene
CID 101404831

Frequently Asked Questions

What is the IUPAC name of N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine (CID 15785710) is N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine is COP(=O)(OC)N(CCSc1ccccc1)CCSc1ccccc1.
What is the InChIKey of N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is ILBIIGCSFWDZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO3PS2/c1-21-23(20,22-2)19(13-15-24-17-9-5-3-6-10-17)14-16-25-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3.
What are the key properties of N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 397.50 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 15785710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).