N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine

C9H11N3OS — CID 157046693

IUPACN-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine
SMILESCC(NSO)c1ccc2nccn2c1
InChIInChI=1S/C9H11N3OS/c1-7(11-14-13)8-2-3-9-10-4-5-12(9)6-8/h2-7,11,13H,1H3
InChIKeySIYBZINBEZQMOF-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.11
Rot. Bonds3

About N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine

N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine (PubChem CID 157046693) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine
PubChem CID157046693
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine
SMILESCC(NSO)c1ccc2nccn2c1
InChIInChI=1S/C9H11N3OS/c1-7(11-14-13)8-2-3-9-10-4-5-12(9)6-8/h2-7,11,13H,1H3
InChIKeySIYBZINBEZQMOF-UHFFFAOYSA-N
XLogP2.11
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane
CID 157046698
ethane;6-propan-2-ylimidazo[1,2-a]pyridine
CID 145229849
6-propan-2-ylsulfanylimidazo[1,2-a]pyridine
CID 139601244
(2R)-3-imidazo[1,2-a]pyridin-6-ylbut-3-en-2-ol
CID 145472164
N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yltetrazolo[1,5-a]pyridine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 167668497
2-ethyl-N-imidazo[1,2-a]pyridin-6-ylbutanamide
CID 110734672
4-imidazo[1,2-a]pyridin-6-yl-2-methylbut-3-yn-2-ol
CID 139261033
6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 23629220
1-fluoro-1-imidazo[1,2-a]pyridin-6-ylethanol
CID 152710550
ethane;6-ethylimidazo[1,2-a]pyridine
CID 142917283
imidazo[1,2-a]pyridin-6-ylmethanol;hydrochloride
CID 71748611

Frequently Asked Questions

What is the IUPAC name of N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine?
The IUPAC name of N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine (CID 157046693) is N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine.
What is the SMILES notation for N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine?
The canonical SMILES for N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine is CC(NSO)c1ccc2nccn2c1.
What is the InChIKey of N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine?
The InChIKey is SIYBZINBEZQMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-7(11-14-13)8-2-3-9-10-4-5-12(9)6-8/h2-7,11,13H,1H3.
What are the key properties of N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine?
N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine has a molecular weight of 209.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxysulfanyl-1-imidazo[1,2-a]pyridin-6-ylethanamine is sourced from PubChem (CID 157046693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).