(2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide

C7H15IN2OS2 — CID 90160125

IUPAC(2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide
SMILESCC(C)(C)SSC[C@H](NN)C(=O)I
InChIInChI=1S/C7H15IN2OS2/c1-7(2,3)13-12-4-5(10-9)6(8)11/h5,10H,4,9H2,1-3H3/t5-/m0/s1
InChIKeyAPDGPHRUVOFYBP-YFKPBYRVSA-N
MW334.25 g/mol
LogP1.96
Rot. Bonds5

About (2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide

(2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide (PubChem CID 90160125) has the molecular formula C7H15IN2OS2 and a molecular weight of 334.25 g/mol. Its IUPAC name is (2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide.

Molecular Properties

Compound Name(2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide
PubChem CID90160125
Molecular FormulaC7H15IN2OS2
Molecular Weight334.25 g/mol
Exact Mass333.97
IUPAC Name(2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide
SMILESCC(C)(C)SSC[C@H](NN)C(=O)I
InChIInChI=1S/C7H15IN2OS2/c1-7(2,3)13-12-4-5(10-9)6(8)11/h5,10H,4,9H2,1-3H3/t5-/m0/s1
InChIKeyAPDGPHRUVOFYBP-YFKPBYRVSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(tert-butyldisulfanyl)-3-(methylamino)butan-2-one
CID 122647595
methyl (2R)-2-acetamido-3-(tert-butyldisulfanyl)propanoate
CID 176893883
ethyl 3-(tert-butyldisulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 135013366
(2R)-3-(tert-butyldisulfanyl)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfanylcarbonylamino]propanoic acid
CID 90192248
(2R)-2-amino-3-(tert-butyldisulfanyl)propanal
CID 24802017
(2S)-6-amino-2-[[(2R)-2-amino-3-(tert-butyldisulfanyl)propanoyl]amino]hexanoic acid
CID 175700271
(1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine
CID 105226584
(2S)-3-[[(2S)-2-carboxypropyl]disulfanyl]-2,3-dimethylbutanoic acid
CID 159328914
(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide
CID 142641960
(2R)-2-hydrazinylpropanoyl iodide
CID 165009318
tert-butyl (2R)-2-hydrazinylbutanoate
CID 140972061
4-[[3-(tert-butyldisulfanyl)-2-(2-methylpropoxycarbonylamino)propanoyl]amino]piperidine-1-carboxylic acid
CID 88545487

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide?
The IUPAC name of (2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide (CID 90160125) is (2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide.
What is the SMILES notation for (2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide?
The canonical SMILES for (2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide is CC(C)(C)SSC[C@H](NN)C(=O)I.
What is the InChIKey of (2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide?
The InChIKey is APDGPHRUVOFYBP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15IN2OS2/c1-7(2,3)13-12-4-5(10-9)6(8)11/h5,10H,4,9H2,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide?
(2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide has a molecular weight of 334.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(tert-butyldisulfanyl)-2-hydrazinylpropanoyl iodide is sourced from PubChem (CID 90160125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).