N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide

C16H22N4O2S — CID 97467554

IUPACN-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cn2c(n1)CN(CCc1ccccc1)CC2
InChIInChI=1S/C16H22N4O2S/c1-23(21,22)17-11-15-12-20-10-9-19(13-16(20)18-15)8-7-14-5-3-2-4-6-14/h2-6,12,17H,7-11,13H2,1H3
InChIKeyCJZCZDUXGDNPOB-UHFFFAOYSA-N
MW334.44 g/mol
LogP0.99
Rot. Bonds6

About N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide

N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide (PubChem CID 97467554) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
PubChem CID97467554
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cn2c(n1)CN(CCc1ccccc1)CC2
InChIInChI=1S/C16H22N4O2S/c1-23(21,22)17-11-15-12-20-10-9-19(13-16(20)18-15)8-7-14-5-3-2-4-6-14/h2-6,12,17H,7-11,13H2,1H3
InChIKeyCJZCZDUXGDNPOB-UHFFFAOYSA-N
XLogP0.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide (CID 97467554) is N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cn2c(n1)CN(CCc1ccccc1)CC2.
What is the InChIKey of N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The InChIKey is CJZCZDUXGDNPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-23(21,22)17-11-15-12-20-10-9-19(13-16(20)18-15)8-7-14-5-3-2-4-6-14/h2-6,12,17H,7-11,13H2,1H3.
What are the key properties of N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97467554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).