N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide

C12H14N4O2S — CID 166872846

IUPACN-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide
SMILESCN(c1c(N)ccc2nccnc12)S(=O)(=O)C1CC1
InChIInChI=1S/C12H14N4O2S/c1-16(19(17,18)8-2-3-8)12-9(13)4-5-10-11(12)15-7-6-14-10/h4-8H,2-3,13H2,1H3
InChIKeyHZYWEMAFFFKBCJ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.14
Rot. Bonds3

About N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide

N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide (PubChem CID 166872846) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide
PubChem CID166872846
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide
SMILESCN(c1c(N)ccc2nccnc12)S(=O)(=O)C1CC1
InChIInChI=1S/C12H14N4O2S/c1-16(19(17,18)8-2-3-8)12-9(13)4-5-10-11(12)15-7-6-14-10/h4-8H,2-3,13H2,1H3
InChIKeyHZYWEMAFFFKBCJ-UHFFFAOYSA-N
XLogP1.14
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide?
The IUPAC name of N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide (CID 166872846) is N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide is CN(c1c(N)ccc2nccnc12)S(=O)(=O)C1CC1.
What is the InChIKey of N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide?
The InChIKey is HZYWEMAFFFKBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-16(19(17,18)8-2-3-8)12-9(13)4-5-10-11(12)15-7-6-14-10/h4-8H,2-3,13H2,1H3.
What are the key properties of N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide?
N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminoquinoxalin-5-yl)-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 166872846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).