1,2-dideuterio-2-(propyldisulfanyl)ethanamine

C5H13NS2 — CID 164969491

IUPAC1,2-dideuterio-2-(propyldisulfanyl)ethanamine
SMILES[2H]C(N)C([2H])SSCCC
InChIInChI=1S/C5H13NS2/c1-2-4-7-8-5-3-6/h2-6H2,1H3/i3D,5D
InChIKeyRRHTVPZYUQSUFT-XBTCESIDSA-N
MW153.31 g/mol
LogP1.74
Rot. Bonds5

About 1,2-dideuterio-2-(propyldisulfanyl)ethanamine

1,2-dideuterio-2-(propyldisulfanyl)ethanamine (PubChem CID 164969491) has the molecular formula C5H13NS2 and a molecular weight of 153.31 g/mol. Its IUPAC name is 1,2-dideuterio-2-(propyldisulfanyl)ethanamine.

Molecular Properties

Compound Name1,2-dideuterio-2-(propyldisulfanyl)ethanamine
PubChem CID164969491
Molecular FormulaC5H13NS2
Molecular Weight153.31 g/mol
Exact Mass153.06
IUPAC Name1,2-dideuterio-2-(propyldisulfanyl)ethanamine
SMILES[2H]C(N)C([2H])SSCCC
InChIInChI=1S/C5H13NS2/c1-2-4-7-8-5-3-6/h2-6H2,1H3/i3D,5D
InChIKeyRRHTVPZYUQSUFT-XBTCESIDSA-N
XLogP1.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-dideuterio-2-(propyldisulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dideuterio-2-(1-deuteriopropyldisulfanyl)ethanamine
CID 164996305
2-deuterio-2-(2-deuteriopropyldisulfanyl)ethanamine
CID 164969487
1-methylsulfanylpropane;1-(propyldisulfanyl)propane
CID 159477892
2,2-dideuterio-2-(1-deuteriopropyldisulfanyl)ethanamine;2,2-dideuterio-2-(2-deuteriopropyldisulfanyl)ethanamine;2,2-dideuterio-2-(1,2-dideuteriopropyldisulfanyl)ethanamine;1,2,2-trideuterio-2-(1,2-dideuteriopropyldisulfanyl)ethanamine
CID 167560807
oxomolybdenum;1-(propyldisulfanyl)propane
CID 174771209
1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine
CID 164996290
2-[(2-amino-1-deuterioethyl)disulfanyl]-2-deuterioethanamine;2,2-dideuterio-2-(1,1-dideuteriopropyldisulfanyl)ethanamine
CID 165056496
2-(propyldisulfanyl)ethanol
CID 11977395
1-(propylheptasulfanyl)propane
CID 14123249
1-(methyldisulfanyl)propane
CID 16592
ethane;methanamine;1-methylsulfanylpropane
CID 143338871
ethylsilane;1-(propyltetrasulfanyl)propane
CID 175318945

Frequently Asked Questions

What is the IUPAC name of 1,2-dideuterio-2-(propyldisulfanyl)ethanamine?
The IUPAC name of 1,2-dideuterio-2-(propyldisulfanyl)ethanamine (CID 164969491) is 1,2-dideuterio-2-(propyldisulfanyl)ethanamine.
What is the SMILES notation for 1,2-dideuterio-2-(propyldisulfanyl)ethanamine?
The canonical SMILES for 1,2-dideuterio-2-(propyldisulfanyl)ethanamine is [2H]C(N)C([2H])SSCCC.
What is the InChIKey of 1,2-dideuterio-2-(propyldisulfanyl)ethanamine?
The InChIKey is RRHTVPZYUQSUFT-XBTCESIDSA-N. The full InChI is InChI=1S/C5H13NS2/c1-2-4-7-8-5-3-6/h2-6H2,1H3/i3D,5D.
What are the key properties of 1,2-dideuterio-2-(propyldisulfanyl)ethanamine?
1,2-dideuterio-2-(propyldisulfanyl)ethanamine has a molecular weight of 153.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dideuterio-2-(propyldisulfanyl)ethanamine is sourced from PubChem (CID 164969491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).