N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C14H19N3O3S — CID 107356032

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCN(C(=O)C1CNc2ccccc2N1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N3O3S/c1-17(10-6-7-21(19,20)9-10)14(18)13-8-15-11-4-2-3-5-12(11)16-13/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyDRCWKEHSLGKUQG-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.54
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356032) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356032
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCN(C(=O)C1CNc2ccccc2N1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N3O3S/c1-17(10-6-7-21(19,20)9-10)14(18)13-8-15-11-4-2-3-5-12(11)16-13/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyDRCWKEHSLGKUQG-UHFFFAOYSA-N
XLogP0.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide
CID 9344377
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide
CID 22691367
N-(1,1-dioxothiolan-3-yl)-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43053951
(2S,3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93275715
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 80567207
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-2-carboxamide
CID 103807849
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356068
N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61214617
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356032) is N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is CN(C(=O)C1CNc2ccccc2N1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is DRCWKEHSLGKUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-17(10-6-7-21(19,20)9-10)14(18)13-8-15-11-4-2-3-5-12(11)16-13/h2-5,10,13,15-16H,6-9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).