N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide

C15H17N3OS — CID 2359872

IUPACN-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide
SMILESO=C(CSc1cnc2ccccc2n1)NC1CCCC1
InChIInChI=1S/C15H17N3OS/c19-14(17-11-5-1-2-6-11)10-20-15-9-16-12-7-3-4-8-13(12)18-15/h3-4,7-9,11H,1-2,5-6,10H2,(H,17,19)
InChIKeyQADNPUCBWXZTLN-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.78
Rot. Bonds4

About N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide

N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide (PubChem CID 2359872) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide
PubChem CID2359872
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide
SMILESO=C(CSc1cnc2ccccc2n1)NC1CCCC1
InChIInChI=1S/C15H17N3OS/c19-14(17-11-5-1-2-6-11)10-20-15-9-16-12-7-3-4-8-13(12)18-15/h3-4,7-9,11H,1-2,5-6,10H2,(H,17,19)
InChIKeyQADNPUCBWXZTLN-UHFFFAOYSA-N
XLogP2.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Quinoxalin-2-ylsulfanyl)acetic acid
CID 736252
1-[3-(quinoxalin-2-ylsulfanyl)propyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 663298
N,N-dimethyl-2-(2-quinoxalinylsulfanyl)acetamide
CID 3749686
2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide
CID 612552
2-phenylsulfanyl-N-pyridin-3-ylacetamide
CID 801624
1-(3-Methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone
CID 4134237
2-(2-Quinoxalinylsulfanyl)propanoic acid
CID 4312795
4-(2-Pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one
CID 8813148
2-(Methylsulfanyl)quinoxaline
CID 351427
2-Phenylsulfanyl-N-pyridin-2-ylmethyl-acetamide
CID 817456
Methyl 2-(2-quinoxalinylsulfanyl)acetate
CID 2763606
2-(3-Piperidin-1-ylpropylsulfanyl)quinoxaline
CID 76321644

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide (CID 2359872) is N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide is O=C(CSc1cnc2ccccc2n1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide?
The InChIKey is QADNPUCBWXZTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14(17-11-5-1-2-6-11)10-20-15-9-16-12-7-3-4-8-13(12)18-15/h3-4,7-9,11H,1-2,5-6,10H2,(H,17,19).
What are the key properties of N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide?
N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide has a molecular weight of 287.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-quinoxalin-2-ylsulfanylacetamide is sourced from PubChem (CID 2359872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).