N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide

C16H19N3O3S — CID 138021720

IUPACN-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2cnc3ccccc3n2)CCS1(=O)=O
InChIInChI=1S/C16H19N3O3S/c1-16(2)9-11(7-8-23(16,21)22)18-15(20)14-10-17-12-5-3-4-6-13(12)19-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,20)
InChIKeyFFDYMKKKBYRRBQ-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.72
Rot. Bonds2

About N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide

N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide (PubChem CID 138021720) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide
PubChem CID138021720
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2cnc3ccccc3n2)CCS1(=O)=O
InChIInChI=1S/C16H19N3O3S/c1-16(2)9-11(7-8-23(16,21)22)18-15(20)14-10-17-12-5-3-4-6-13(12)19-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,20)
InChIKeyFFDYMKKKBYRRBQ-UHFFFAOYSA-N
XLogP1.72
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-phenyl-1H-imidazole-5-carboxamide
CID 136567180
N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 113265403
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)quinoxaline-2-carboxamide
CID 45352272
N-[(3R)-piperidin-3-yl]quinoxaline-2-carboxamide
CID 105061101
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide
CID 98783711
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide
CID 22956895
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]quinoxaline-2-carboxamide
CID 47031610
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide
CID 46589381
N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 138021728
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126934572

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide (CID 138021720) is N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide is CC1(C)CC(NC(=O)c2cnc3ccccc3n2)CCS1(=O)=O.
What is the InChIKey of N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide?
The InChIKey is FFDYMKKKBYRRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-16(2)9-11(7-8-23(16,21)22)18-15(20)14-10-17-12-5-3-4-6-13(12)19-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide?
N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,1-dioxothian-4-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 138021720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).