S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine

C11H17BrN2S — CID 164929008

IUPACS-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine
SMILESC[C@@H](CC(C)(C)SN)c1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2S/c1-8(6-11(2,3)15-13)10-5-4-9(12)7-14-10/h4-5,7-8H,6,13H2,1-3H3/t8-/m0/s1
InChIKeyYAXOXLLPWLJEDW-QMMMGPOBSA-N
MW289.24 g/mol
LogP3.72
Rot. Bonds4

About S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine

S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine (PubChem CID 164929008) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine
PubChem CID164929008
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC NameS-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine
SMILESC[C@@H](CC(C)(C)SN)c1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2S/c1-8(6-11(2,3)15-13)10-5-4-9(12)7-14-10/h4-5,7-8H,6,13H2,1-3H3/t8-/m0/s1
InChIKeyYAXOXLLPWLJEDW-QMMMGPOBSA-N
XLogP3.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 42614288
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CID 89251860
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CID 130641134
2-(4,4-dimethylpentan-2-yl)-5-propan-2-ylpyridine
CID 157318275
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
CID 114201019
[1-(5-bromo-2-pyridinyl)-3-ethylpentyl]hydrazine
CID 105267903
1-(5-bromo-2-pyridinyl)pentan-1-amine
CID 70087058
3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol
CID 171861041
N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 118391797
1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol
CID 107892788
(5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine
CID 113398353

Frequently Asked Questions

What is the IUPAC name of S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine?
The IUPAC name of S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine (CID 164929008) is S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine.
What is the SMILES notation for S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine?
The canonical SMILES for S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine is C[C@@H](CC(C)(C)SN)c1ccc(Br)cn1.
What is the InChIKey of S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine?
The InChIKey is YAXOXLLPWLJEDW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-8(6-11(2,3)15-13)10-5-4-9(12)7-14-10/h4-5,7-8H,6,13H2,1-3H3/t8-/m0/s1.
What are the key properties of S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine?
S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine has a molecular weight of 289.24 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(4S)-4-(5-bromo-2-pyridinyl)-2-methylpentan-2-yl]thiohydroxylamine is sourced from PubChem (CID 164929008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).