1-(disulfanyl)-N-(2-methoxyethyl)ethanamine

C5H13NOS2 — CID 167164732

IUPAC1-(disulfanyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)SS
InChIInChI=1S/C5H13NOS2/c1-5(9-8)6-3-4-7-2/h5-6,8H,3-4H2,1-2H3
InChIKeyXUTILJKXNNBPDR-UHFFFAOYSA-N
MW167.30 g/mol
LogP1.15
Rot. Bonds5

About 1-(disulfanyl)-N-(2-methoxyethyl)ethanamine

1-(disulfanyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 167164732) has the molecular formula C5H13NOS2 and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-(disulfanyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(disulfanyl)-N-(2-methoxyethyl)ethanamine
PubChem CID167164732
Molecular FormulaC5H13NOS2
Molecular Weight167.30 g/mol
Exact Mass167.04
IUPAC Name1-(disulfanyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)SS
InChIInChI=1S/C5H13NOS2/c1-5(9-8)6-3-4-7-2/h5-6,8H,3-4H2,1-2H3
InChIKeyXUTILJKXNNBPDR-UHFFFAOYSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-(disulfanyl)-N-(2-methoxyethyl)ethanamine (CID 167164732) is 1-(disulfanyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-(disulfanyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-(disulfanyl)-N-(2-methoxyethyl)ethanamine is COCCNC(C)SS.
What is the InChIKey of 1-(disulfanyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is XUTILJKXNNBPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS2/c1-5(9-8)6-3-4-7-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-(disulfanyl)-N-(2-methoxyethyl)ethanamine?
1-(disulfanyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 167.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 167164732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).