N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C14H19N3O3S — CID 104615050

IUPACN-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)c1cccc2c1NCCN2
InChIInChI=1S/C14H19N3O3S/c18-14(17-10-3-2-8-21(19,20)9-10)11-4-1-5-12-13(11)16-7-6-15-12/h1,4-5,10,15-16H,2-3,6-9H2,(H,17,18)
InChIKeyGWSRBESBIQPFLG-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.83
Rot. Bonds2

About N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104615050) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104615050
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)c1cccc2c1NCCN2
InChIInChI=1S/C14H19N3O3S/c18-14(17-10-3-2-8-21(19,20)9-10)11-4-1-5-12-13(11)16-7-6-15-12/h1,4-5,10,15-16H,2-3,6-9H2,(H,17,18)
InChIKeyGWSRBESBIQPFLG-UHFFFAOYSA-N
XLogP0.83
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614463
2-amino-N-(1,1-dioxothian-3-yl)-3-fluorobenzamide
CID 63917121
N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide
CID 63918472
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63922749
N-(1,1-dioxothian-3-yl)-2,5-dihydroxybenzamide
CID 107723081
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
3-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzamide
CID 95264332
2,5-dibromo-N-(1,1-dioxothian-3-yl)benzamide
CID 114372378
N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615058
3-cyano-N-(1,1-dioxothian-3-yl)benzamide
CID 63922155
2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide
CID 80572389
N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide
CID 63921781

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104615050) is N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is O=C(NC1CCCS(=O)(=O)C1)c1cccc2c1NCCN2.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is GWSRBESBIQPFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-14(17-10-3-2-8-21(19,20)9-10)11-4-1-5-12-13(11)16-7-6-15-12/h1,4-5,10,15-16H,2-3,6-9H2,(H,17,18).
What are the key properties of N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104615050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).