N-(diethylaminotrisulfanyl)-N-ethylethanamine

C8H20N2S3 — CID 15534940

IUPACN-(diethylaminotrisulfanyl)-N-ethylethanamine
SMILESCCN(CC)SSSN(CC)CC
InChIInChI=1S/C8H20N2S3/c1-5-9(6-2)11-13-12-10(7-3)8-4/h5-8H2,1-4H3
InChIKeyGYXXGPBTYFFYRY-UHFFFAOYSA-N
MW240.46 g/mol
LogP3.53
Rot. Bonds8

About N-(diethylaminotrisulfanyl)-N-ethylethanamine

N-(diethylaminotrisulfanyl)-N-ethylethanamine (PubChem CID 15534940) has the molecular formula C8H20N2S3 and a molecular weight of 240.46 g/mol. Its IUPAC name is N-(diethylaminotrisulfanyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(diethylaminotrisulfanyl)-N-ethylethanamine
PubChem CID15534940
Molecular FormulaC8H20N2S3
Molecular Weight240.46 g/mol
Exact Mass240.08
IUPAC NameN-(diethylaminotrisulfanyl)-N-ethylethanamine
SMILESCCN(CC)SSSN(CC)CC
InChIInChI=1S/C8H20N2S3/c1-5-9(6-2)11-13-12-10(7-3)8-4/h5-8H2,1-4H3
InChIKeyGYXXGPBTYFFYRY-UHFFFAOYSA-N
XLogP3.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(diethylaminotrisulfanyl)-N-ethylethanamine?
The IUPAC name of N-(diethylaminotrisulfanyl)-N-ethylethanamine (CID 15534940) is N-(diethylaminotrisulfanyl)-N-ethylethanamine.
What is the SMILES notation for N-(diethylaminotrisulfanyl)-N-ethylethanamine?
The canonical SMILES for N-(diethylaminotrisulfanyl)-N-ethylethanamine is CCN(CC)SSSN(CC)CC.
What is the InChIKey of N-(diethylaminotrisulfanyl)-N-ethylethanamine?
The InChIKey is GYXXGPBTYFFYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S3/c1-5-9(6-2)11-13-12-10(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of N-(diethylaminotrisulfanyl)-N-ethylethanamine?
N-(diethylaminotrisulfanyl)-N-ethylethanamine has a molecular weight of 240.46 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylaminotrisulfanyl)-N-ethylethanamine is sourced from PubChem (CID 15534940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).