N-(quinolin-8-ylmethyl)-2-sulfanylacetamide

C12H12N2OS — CID 81423056

IUPACN-(quinolin-8-ylmethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCc1cccc2cccnc12
InChIInChI=1S/C12H12N2OS/c15-11(8-16)14-7-10-4-1-3-9-5-2-6-13-12(9)10/h1-6,16H,7-8H2,(H,14,15)
InChIKeyBDSNVRZNDIKEBT-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.78
Rot. Bonds3

About N-(quinolin-8-ylmethyl)-2-sulfanylacetamide

N-(quinolin-8-ylmethyl)-2-sulfanylacetamide (PubChem CID 81423056) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(quinolin-8-ylmethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(quinolin-8-ylmethyl)-2-sulfanylacetamide
PubChem CID81423056
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(quinolin-8-ylmethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCc1cccc2cccnc12
InChIInChI=1S/C12H12N2OS/c15-11(8-16)14-7-10-4-1-3-9-5-2-6-13-12(9)10/h1-6,16H,7-8H2,(H,14,15)
InChIKeyBDSNVRZNDIKEBT-UHFFFAOYSA-N
XLogP1.78
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427105
3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427173
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
CID 110909304
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylmethyl)-2-sulfanylacetamide?
The IUPAC name of N-(quinolin-8-ylmethyl)-2-sulfanylacetamide (CID 81423056) is N-(quinolin-8-ylmethyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(quinolin-8-ylmethyl)-2-sulfanylacetamide?
The canonical SMILES for N-(quinolin-8-ylmethyl)-2-sulfanylacetamide is O=C(CS)NCc1cccc2cccnc12.
What is the InChIKey of N-(quinolin-8-ylmethyl)-2-sulfanylacetamide?
The InChIKey is BDSNVRZNDIKEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-11(8-16)14-7-10-4-1-3-9-5-2-6-13-12(9)10/h1-6,16H,7-8H2,(H,14,15).
What are the key properties of N-(quinolin-8-ylmethyl)-2-sulfanylacetamide?
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide has a molecular weight of 232.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-8-ylmethyl)-2-sulfanylacetamide is sourced from PubChem (CID 81423056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).