N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline

C18H31NS4 — CID 15768982

IUPACN,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline
SMILESCCSCCSCCN(CCSCCSCC)c1ccccc1
InChIInChI=1S/C18H31NS4/c1-3-20-14-16-22-12-10-19(18-8-6-5-7-9-18)11-13-23-17-15-21-4-2/h5-9H,3-4,10-17H2,1-2H3
InChIKeyGFVQWIWXDUGCKM-UHFFFAOYSA-N
MW389.72 g/mol
LogP5.47
Rot. Bonds15

About N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline

N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline (PubChem CID 15768982) has the molecular formula C18H31NS4 and a molecular weight of 389.72 g/mol. Its IUPAC name is N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline.

Molecular Properties

Compound NameN,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline
PubChem CID15768982
Molecular FormulaC18H31NS4
Molecular Weight389.72 g/mol
Exact Mass389.13
IUPAC NameN,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline
SMILESCCSCCSCCN(CCSCCSCC)c1ccccc1
InChIInChI=1S/C18H31NS4/c1-3-20-14-16-22-12-10-19(18-8-6-5-7-9-18)11-13-23-17-15-21-4-2/h5-9H,3-4,10-17H2,1-2H3
InChIKeyGFVQWIWXDUGCKM-UHFFFAOYSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.72
LogP ≤ 55.47
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

3-[N-(3-ethylsulfanylpropyl)anilino]propanenitrile
CID 113473568
3-[N-(3-ethylsulfanylpropyl)anilino]propanoic acid
CID 113473905
N-benzhydryl-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine
CID 132516295
N,N-dipropylaniline;ethane
CID 142135231
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
N'-(2-benzylsulfanylethyl)-N,N-dimethyl-N'-phenylpropane-1,3-diamine
CID 118585144
[bis(2-ethylsulfanylethyl)amino]-triphenylphosphanium
CID 175690730
N,N-diethylaniline
CID 7061
3-(N-propylanilino)propan-1-ol
CID 101291000
1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
CID 121008102
S-[2-(N-ethylanilino)ethyl] ethanethioate
CID 141102271

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline?
The IUPAC name of N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline (CID 15768982) is N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline.
What is the SMILES notation for N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline?
The canonical SMILES for N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline is CCSCCSCCN(CCSCCSCC)c1ccccc1.
What is the InChIKey of N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline?
The InChIKey is GFVQWIWXDUGCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS4/c1-3-20-14-16-22-12-10-19(18-8-6-5-7-9-18)11-13-23-17-15-21-4-2/h5-9H,3-4,10-17H2,1-2H3.
What are the key properties of N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline?
N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline has a molecular weight of 389.72 g/mol, XLogP of 5.47, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(2-ethylsulfanylethylsulfanyl)ethyl]aniline is sourced from PubChem (CID 15768982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).