2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide

C14H17N3OS — CID 153373939

IUPAC2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide
SMILESCN(C)CC(=O)NCc1ccc(S)c2ncccc12
InChIInChI=1S/C14H17N3OS/c1-17(2)9-13(18)16-8-10-5-6-12(19)14-11(10)4-3-7-15-14/h3-7,19H,8-9H2,1-2H3,(H,16,18)
InChIKeyQZXXJHBHIJQCDS-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.70
Rot. Bonds4

About 2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide

2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide (PubChem CID 153373939) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide
PubChem CID153373939
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide
SMILESCN(C)CC(=O)NCc1ccc(S)c2ncccc12
InChIInChI=1S/C14H17N3OS/c1-17(2)9-13(18)16-8-10-5-6-12(19)14-11(10)4-3-7-15-14/h3-7,19H,8-9H2,1-2H3,(H,16,18)
InChIKeyQZXXJHBHIJQCDS-UHFFFAOYSA-N
XLogP1.70
TPSA45.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide
CID 161259110
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide
CID 158160980
N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide
CID 90652525
2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide
CID 91795310
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide
CID 159978854
N-[(8-methylquinolin-5-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 118788154
N-[(2S)-2-hydroxypropyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 83057842
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide (CID 153373939) is 2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide is CN(C)CC(=O)NCc1ccc(S)c2ncccc12.
What is the InChIKey of 2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide?
The InChIKey is QZXXJHBHIJQCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-17(2)9-13(18)16-8-10-5-6-12(19)14-11(10)4-3-7-15-14/h3-7,19H,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide?
2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide is sourced from PubChem (CID 153373939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).