(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite

C5H13Br2N3O2S — CID 158556159

IUPAC(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite
SMILESBrOBr.CSCC[C@H](N)C(=O)NN
InChIInChI=1S/C5H13N3OS.Br2O/c1-10-3-2-4(6)5(9)8-7;1-3-2/h4H,2-3,6-7H2,1H3,(H,8,9);/t4-;/m0./s1
InChIKeyHQHZMAMDLQJALS-WCCKRBBISA-N
MW339.05 g/mol
LogP0.68
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite

(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite (PubChem CID 158556159) has the molecular formula C5H13Br2N3O2S and a molecular weight of 339.05 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite
PubChem CID158556159
Molecular FormulaC5H13Br2N3O2S
Molecular Weight339.05 g/mol
Exact Mass336.91
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite
SMILESBrOBr.CSCC[C@H](N)C(=O)NN
InChIInChI=1S/C5H13N3OS.Br2O/c1-10-3-2-4(6)5(9)8-7;1-3-2/h4H,2-3,6-7H2,1H3,(H,8,9);/t4-;/m0./s1
InChIKeyHQHZMAMDLQJALS-WCCKRBBISA-N
XLogP0.68
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.05
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
(2S)-2-amino-N-(cyanomethyl)-4-methylsulfanylbutanamide
CID 61252327
methyl 2-amino-4-methylsulfanylbutanoate chloride
CID 170923229
methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
CID 138397899
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2S)-2-amino-N-cyano-4-methylsulfanylbutanamide
CID 79193616
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
(2-amino-4-methylsulfanylbutanoyl)oxymethyl 2-amino-4-methylsulfanylbutanoate
CID 158198459
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 102454632
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite (CID 158556159) is (2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite is BrOBr.CSCC[C@H](N)C(=O)NN.
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite?
The InChIKey is HQHZMAMDLQJALS-WCCKRBBISA-N. The full InChI is InChI=1S/C5H13N3OS.Br2O/c1-10-3-2-4(6)5(9)8-7;1-3-2/h4H,2-3,6-7H2,1H3,(H,8,9);/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite?
(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite has a molecular weight of 339.05 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite is sourced from PubChem (CID 158556159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).