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

C12H27NS4 — CID 11833983

IUPAC2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine
SMILESCCSCCSCCNCCSCCSCC
InChIInChI=1S/C12H27NS4/c1-3-14-9-11-16-7-5-13-6-8-17-12-10-15-4-2/h13H,3-12H2,1-2H3
InChIKeyWHDPMSLPPHWMPL-UHFFFAOYSA-N
MW313.62 g/mol
LogP3.55
Rot. Bonds14

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

2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine (PubChem CID 11833983) has the molecular formula C12H27NS4 and a molecular weight of 313.62 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine
PubChem CID11833983
Molecular FormulaC12H27NS4
Molecular Weight313.62 g/mol
Exact Mass313.10
IUPAC Name2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine
SMILESCCSCCSCCNCCSCCSCC
InChIInChI=1S/C12H27NS4/c1-3-14-9-11-16-7-5-13-6-8-17-12-10-15-4-2/h13H,3-12H2,1-2H3
InChIKeyWHDPMSLPPHWMPL-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.62
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4,10,13-Tetrathia-7,16-diazacyclooctadecane
CID 560494
2-(n-Methyl)aminomethyl-1,4,8,11,14-pentathiacycloheptadecane
CID 11014152
3,9-Dithia-6-azaundecane
CID 11830297
1,7-Dithia-4,10-diazacyclododecane
CID 13157833
1,4,7,10-Tetrathia-13-azacyclopentadecane
CID 14323352
1-Aza-4,7,11,14-tetrathiacyclohexadecane
CID 15266801
Bis-(2-methylthioethyl)-amine
CID 15410127
1,4,7-Trithia-10-azacyclododecane
CID 58534920
1,4,7-Trithia-10,13-diazacyclopentadecane
CID 11651878
1,4,7-Trithia-11-azacyclotetradecane
CID 11954528
1,4,8-Trithia-11-azacyclotetradecane
CID 56636889
1,4,7-Trithia-10,13,16-triazacyclooctadecane
CID 86241444

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine (CID 11833983) is 2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine is CCSCCSCCNCCSCCSCC.
What is the InChIKey of 2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine?
The InChIKey is WHDPMSLPPHWMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS4/c1-3-14-9-11-16-7-5-13-6-8-17-12-10-15-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine?
2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine has a molecular weight of 313.62 g/mol, XLogP of 3.55, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 11833983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).