N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine

C25H37NS4 — CID 132516295

IUPACN-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine
SMILESCCSCCSCCN(CCSCCSCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37NS4/c1-3-27-19-21-29-17-15-26(16-18-30-22-20-28-4-2)25(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,25H,3-4,15-22H2,1-2H3
InChIKeyCYOGUXRMADCPIS-UHFFFAOYSA-N
MW479.85 g/mol
LogP7.05
Rot. Bonds17

About N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine

N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine (PubChem CID 132516295) has the molecular formula C25H37NS4 and a molecular weight of 479.85 g/mol. Its IUPAC name is N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound NameN-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine
PubChem CID132516295
Molecular FormulaC25H37NS4
Molecular Weight479.85 g/mol
Exact Mass479.18
IUPAC NameN-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine
SMILESCCSCCSCCN(CCSCCSCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37NS4/c1-3-27-19-21-29-17-15-26(16-18-30-22-20-28-4-2)25(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,25H,3-4,15-22H2,1-2H3
InChIKeyCYOGUXRMADCPIS-UHFFFAOYSA-N
XLogP7.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.85
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline
CID 15768982
[bis(2-ethylsulfanylethyl)amino]-triphenylphosphanium
CID 175690730
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
2-[benzhydryl(ethyl)amino]ethanol
CID 131843300
3-ethylsulfanyl-1-phenylpropan-1-ol
CID 12525073
N-benzhydryl-2-ethylsulfanylethanamine
CID 115635448
1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
CID 121008102
2-bromo-N-(2-bromoethyl)-N-[(4-chlorophenyl)-phenylmethyl]ethanamine
CID 141251658
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
[3-(3,3-diphenylpropylsulfanyl)-1-phenylpropyl]benzene
CID 57070199
N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide
CID 75448253
2-ethylsulfanylethyl-bis(2-phenylethyl)phosphane
CID 11484327

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine?
The IUPAC name of N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine (CID 132516295) is N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine is CCSCCSCCN(CCSCCSCC)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine?
The InChIKey is CYOGUXRMADCPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NS4/c1-3-27-19-21-29-17-15-26(16-18-30-22-20-28-4-2)25(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,25H,3-4,15-22H2,1-2H3.
What are the key properties of N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine?
N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine has a molecular weight of 479.85 g/mol, XLogP of 7.05, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 132516295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).