N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide

C16H19N3OS — CID 75403017

IUPACN-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide
SMILESO=C(NCCSC1CCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C16H19N3OS/c20-16(17-9-10-21-12-5-1-2-6-12)15-11-18-13-7-3-4-8-14(13)19-15/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,17,20)
InChIKeyPSYRLZJWNTUZSG-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.04
Rot. Bonds5

About N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide

N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide (PubChem CID 75403017) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide
PubChem CID75403017
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide
SMILESO=C(NCCSC1CCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C16H19N3OS/c20-16(17-9-10-21-12-5-1-2-6-12)15-11-18-13-7-3-4-8-14(13)19-15/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,17,20)
InChIKeyPSYRLZJWNTUZSG-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
N-[4-[2-(cyclohexylamino)ethylamino]butyl]quinoxaline-2-carboxamide;dihydrochloride
CID 139937467
N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide
CID 100669575
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893
N-but-3-enylquinoxaline-2-carboxamide
CID 113466022
N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
CID 94101618
N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide
CID 24656137
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)quinoxaline-2-carboxamide
CID 45352272
N-(2-azidoethyl)quinoxaline-2-carboxamide
CID 107356589
N-(4-phenylbutyl)quinoxaline-2-carboxamide
CID 22136414
N-[(3-hydroxycyclopentyl)methyl]quinoxaline-2-carboxamide
CID 103280180
2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide (CID 75403017) is N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide is O=C(NCCSC1CCCC1)c1cnc2ccccc2n1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide?
The InChIKey is PSYRLZJWNTUZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(17-9-10-21-12-5-1-2-6-12)15-11-18-13-7-3-4-8-14(13)19-15/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,17,20).
What are the key properties of N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide?
N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 75403017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).