N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide

C12H12N4OS — CID 104614287

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
SMILESCC(NC(=O)c1cccc2nccnc12)C(N)=S
InChIInChI=1S/C12H12N4OS/c1-7(11(13)18)16-12(17)8-3-2-4-9-10(8)15-6-5-14-9/h2-7H,1H3,(H2,13,18)(H,16,17)
InChIKeyGUDRMXBOCYCZPM-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.03
Rot. Bonds3

About N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide

N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide (PubChem CID 104614287) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
PubChem CID104614287
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
SMILESCC(NC(=O)c1cccc2nccnc12)C(N)=S
InChIInChI=1S/C12H12N4OS/c1-7(11(13)18)16-12(17)8-3-2-4-9-10(8)15-6-5-14-9/h2-7H,1H3,(H2,13,18)(H,16,17)
InChIKeyGUDRMXBOCYCZPM-UHFFFAOYSA-N
XLogP1.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)quinoxaline-5-carboxamide
CID 104614301
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide
CID 104614319
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoxaline-5-carboxamide
CID 131925216
N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
CID 61119089
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide
CID 104615583
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-(2-methoxyethoxy)quinoxaline-5-carboxamide
CID 113428897

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide (CID 104614287) is N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide is CC(NC(=O)c1cccc2nccnc12)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide?
The InChIKey is GUDRMXBOCYCZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-7(11(13)18)16-12(17)8-3-2-4-9-10(8)15-6-5-14-9/h2-7H,1H3,(H2,13,18)(H,16,17).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104614287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).