N-(disulfanyl)-N-ethylethanamine

C4H11NS2 — CID 129302032

IUPACN-(disulfanyl)-N-ethylethanamine
SMILESCCN(CC)SS
InChIInChI=1S/C4H11NS2/c1-3-5(4-2)7-6/h6H,3-4H2,1-2H3
InChIKeyCDKILWGGYFGOHO-UHFFFAOYSA-N
MW137.27 g/mol
LogP1.82
Rot. Bonds3

About N-(disulfanyl)-N-ethylethanamine

N-(disulfanyl)-N-ethylethanamine (PubChem CID 129302032) has the molecular formula C4H11NS2 and a molecular weight of 137.27 g/mol. Its IUPAC name is N-(disulfanyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(disulfanyl)-N-ethylethanamine
PubChem CID129302032
Molecular FormulaC4H11NS2
Molecular Weight137.27 g/mol
Exact Mass137.03
IUPAC NameN-(disulfanyl)-N-ethylethanamine
SMILESCCN(CC)SS
InChIInChI=1S/C4H11NS2/c1-3-5(4-2)7-6/h6H,3-4H2,1-2H3
InChIKeyCDKILWGGYFGOHO-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(disulfanyl)-N-ethylethanamine?
The IUPAC name of N-(disulfanyl)-N-ethylethanamine (CID 129302032) is N-(disulfanyl)-N-ethylethanamine.
What is the SMILES notation for N-(disulfanyl)-N-ethylethanamine?
The canonical SMILES for N-(disulfanyl)-N-ethylethanamine is CCN(CC)SS.
What is the InChIKey of N-(disulfanyl)-N-ethylethanamine?
The InChIKey is CDKILWGGYFGOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS2/c1-3-5(4-2)7-6/h6H,3-4H2,1-2H3.
What are the key properties of N-(disulfanyl)-N-ethylethanamine?
N-(disulfanyl)-N-ethylethanamine has a molecular weight of 137.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(disulfanyl)-N-ethylethanamine is sourced from PubChem (CID 129302032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).