N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide

C11H10N2O2S — CID 45254009

IUPACN-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc(O)c2ncccc12
InChIInChI=1S/C11H10N2O2S/c14-9-4-3-8(13-10(15)6-16)7-2-1-5-12-11(7)9/h1-5,14,16H,6H2,(H,13,15)
InChIKeyCXDSGQTXDYQKLM-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.81
Rot. Bonds2

About N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide

N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide (PubChem CID 45254009) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide
PubChem CID45254009
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC NameN-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc(O)c2ncccc12
InChIInChI=1S/C11H10N2O2S/c14-9-4-3-8(13-10(15)6-16)7-2-1-5-12-11(7)9/h1-5,14,16H,6H2,(H,13,15)
InChIKeyCXDSGQTXDYQKLM-UHFFFAOYSA-N
XLogP1.81
TPSA62.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
CID 66916666
N-(8-hydroxyquinolin-5-yl)-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanamide
CID 155521791
N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
CID 79044042
N-(8-hydroxyquinolin-5-yl)-6-(1,1,3-trioxo-1,2-benzothiazol-2-yl)hexanamide
CID 155556307
N-(8-methylquinolin-5-yl)-2-naphthalen-2-ylacetamide
CID 38280575
2-[(2-methylpropan-2-yl)oxy]-N-(8-methylquinolin-5-yl)acetamide
CID 115949975
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391
N-(8-methylquinolin-5-yl)-2-propan-2-yloxyacetamide
CID 47418219
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
8-hydroxyquinoline-5-carboxylic acid;hydrobromide
CID 122236270

Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide?
The IUPAC name of N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide (CID 45254009) is N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide is O=C(CS)Nc1ccc(O)c2ncccc12.
What is the InChIKey of N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide?
The InChIKey is CXDSGQTXDYQKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-9-4-3-8(13-10(15)6-16)7-2-1-5-12-11(7)9/h1-5,14,16H,6H2,(H,13,15).
What are the key properties of N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide?
N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide has a molecular weight of 234.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide is sourced from PubChem (CID 45254009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).