3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine

C19H26N6O2S — CID 145425569

IUPAC3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine
SMILESCc1ccc(S(N)(=O)=O)cc1-c1cnc2c(N)nccn12.NC1CCCCC1
InChIInChI=1S/C13H13N5O2S.C6H13N/c1-8-2-3-9(21(15,19)20)6-10(8)11-7-17-13-12(14)16-4-5-18(11)13;7-6-4-2-1-3-5-6/h2-7H,1H3,(H2,14,16)(H2,15,19,20);6H,1-5,7H2
InChIKeyNVRNYLPRQNVMJG-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.21
Rot. Bonds2

About 3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine

3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine (PubChem CID 145425569) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine.

Molecular Properties

Compound Name3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine
PubChem CID145425569
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine
SMILESCc1ccc(S(N)(=O)=O)cc1-c1cnc2c(N)nccn12.NC1CCCCC1
InChIInChI=1S/C13H13N5O2S.C6H13N/c1-8-2-3-9(21(15,19)20)6-10(8)11-7-17-13-12(14)16-4-5-18(11)13;7-6-4-2-1-3-5-6/h2-7H,1H3,(H2,14,16)(H2,15,19,20);6H,1-5,7H2
InChIKeyNVRNYLPRQNVMJG-UHFFFAOYSA-N
XLogP2.21
TPSA142.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide
CID 146456826
3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-N-(4-isocyano-1-bicyclo[2.1.1]hexanyl)-4-methylbenzenesulfonamide
CID 140831773
3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide
CID 43744206
3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-N-(5-cyano-2-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl)-4-methylbenzenesulfonamide
CID 138581141
3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146456825
4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
CID 61344661
3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
CID 61444804
[4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
CID 174242958
4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25207627
3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139295631
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-cyclobutyl-4-methylbenzenesulfonamide
CID 126570016

Frequently Asked Questions

What is the IUPAC name of 3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine?
The IUPAC name of 3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine (CID 145425569) is 3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine.
What is the SMILES notation for 3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine?
The canonical SMILES for 3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine is Cc1ccc(S(N)(=O)=O)cc1-c1cnc2c(N)nccn12.NC1CCCCC1.
What is the InChIKey of 3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine?
The InChIKey is NVRNYLPRQNVMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S.C6H13N/c1-8-2-3-9(21(15,19)20)6-10(8)11-7-17-13-12(14)16-4-5-18(11)13;7-6-4-2-1-3-5-6/h2-7H,1H3,(H2,14,16)(H2,15,19,20);6H,1-5,7H2.
What are the key properties of 3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine?
3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine has a molecular weight of 402.52 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-4-methylbenzenesulfonamide;cyclohexanamine is sourced from PubChem (CID 145425569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).