1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine

C5H13NS2 — CID 164996290

IUPAC1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine
SMILES[2H]C(N)C([2H])([2H])SSCC([2H])([2H])C
InChIInChI=1S/C5H13NS2/c1-2-4-7-8-5-3-6/h2-6H2,1H3/i2D2,3D,5D2
InChIKeyRRHTVPZYUQSUFT-URUQZDDISA-N
MW156.33 g/mol
LogP1.74
Rot. Bonds5

About 1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine

1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine (PubChem CID 164996290) has the molecular formula C5H13NS2 and a molecular weight of 156.33 g/mol. Its IUPAC name is 1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine.

Molecular Properties

Compound Name1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine
PubChem CID164996290
Molecular FormulaC5H13NS2
Molecular Weight156.33 g/mol
Exact Mass156.08
IUPAC Name1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine
SMILES[2H]C(N)C([2H])([2H])SSCC([2H])([2H])C
InChIInChI=1S/C5H13NS2/c1-2-4-7-8-5-3-6/h2-6H2,1H3/i2D2,3D,5D2
InChIKeyRRHTVPZYUQSUFT-URUQZDDISA-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 ≤ 500156.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
1,2-dideuterio-2-(propyldisulfanyl)ethanamine
CID 164969491
2,2-dideuterio-2-(1,1,2-trideuteriopropyldisulfanyl)ethanamine
CID 164996291
2-deuterio-2-(2-deuteriopropyldisulfanyl)ethanamine
CID 164969487
1,1-dideuterio-2-(1-deuteriopropyldisulfanyl)ethanamine
CID 164996305
2-[(2-amino-1-deuterioethyl)disulfanyl]-2-deuterioethanamine;2,2-dideuterio-2-(1,1-dideuteriopropyldisulfanyl)ethanamine
CID 165056496
2-(2-aminoethyldisulfanyl)ethanamine
CID 2915
2-deuteriopropan-1-amine
CID 164969480
1-(butyldisulfanyl)butane;copper
CID 159977501
2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine
CID 160817731
oxomolybdenum;1-(propyldisulfanyl)propane
CID 174771209
2-deuteriononan-1-amine
CID 10820665

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine?
The IUPAC name of 1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine (CID 164996290) is 1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine.
What is the SMILES notation for 1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine?
The canonical SMILES for 1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine is [2H]C(N)C([2H])([2H])SSCC([2H])([2H])C.
What is the InChIKey of 1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine?
The InChIKey is RRHTVPZYUQSUFT-URUQZDDISA-N. The full InChI is InChI=1S/C5H13NS2/c1-2-4-7-8-5-3-6/h2-6H2,1H3/i2D2,3D,5D2.
What are the key properties of 1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine?
1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine has a molecular weight of 156.33 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 1,2,2-trideuterio-2-(2,2-dideuteriopropyldisulfanyl)ethanamine is sourced from PubChem (CID 164996290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).