N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine

C21H31N2O2PS2 — CID 15785709

IUPACN-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
SMILESCCN(CC)P(=O)(OC)N(CCSc1ccccc1)CCSc1ccccc1
InChIInChI=1S/C21H31N2O2PS2/c1-4-22(5-2)26(24,25-3)23(16-18-27-20-12-8-6-9-13-20)17-19-28-21-14-10-7-11-15-21/h6-15H,4-5,16-19H2,1-3H3
InChIKeyUZLXABSGRPULMP-UHFFFAOYSA-N
MW438.60 g/mol
LogP5.97
Rot. Bonds13

About N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine

N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 15785709) has the molecular formula C21H31N2O2PS2 and a molecular weight of 438.60 g/mol. Its IUPAC name is N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound NameN-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID15785709
Molecular FormulaC21H31N2O2PS2
Molecular Weight438.60 g/mol
Exact Mass438.16
IUPAC NameN-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
SMILESCCN(CC)P(=O)(OC)N(CCSc1ccccc1)CCSc1ccccc1
InChIInChI=1S/C21H31N2O2PS2/c1-4-22(5-2)26(24,25-3)23(16-18-27-20-12-8-6-9-13-20)17-19-28-21-14-10-7-11-15-21/h6-15H,4-5,16-19H2,1-3H3
InChIKeyUZLXABSGRPULMP-UHFFFAOYSA-N
XLogP5.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.60
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
CID 15785710
N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine
CID 78993247
3-[ethyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79227461
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
CID 15762909
2-(2-bromoethoxy)-N-ethyl-N-(2-phenylsulfanylethyl)ethanamine
CID 114263726
2-[bis(2-phenylsulfanylethyl)phosphoryl]ethylsulfanylbenzene
CID 71359429
methyl 2-[ethyl(3-phenylsulfanylpropanoyl)amino]acetate
CID 54979234
3-[ethyl(2-phenylsulfanylethyl)amino]butanoic acid
CID 79228922
N-benzyl-N-[[benzyl(2-chloroethyl)amino]-methoxyphosphoryl]-2-chloroethanamine
CID 143387245
N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
CID 10566222
N-ethyl-2-methyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 79481980
2-[2-phenylsulfanylethyl(propyl)amino]acetic acid
CID 79227310

Frequently Asked Questions

What is the IUPAC name of N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine (CID 15785709) is N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine is CCN(CC)P(=O)(OC)N(CCSc1ccccc1)CCSc1ccccc1.
What is the InChIKey of N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is UZLXABSGRPULMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N2O2PS2/c1-4-22(5-2)26(24,25-3)23(16-18-27-20-12-8-6-9-13-20)17-19-28-21-14-10-7-11-15-21/h6-15H,4-5,16-19H2,1-3H3.
What are the key properties of N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 438.60 g/mol, XLogP of 5.97, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 15785709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).