2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline

C14H18N4O2S — CID 63021245

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline
SMILESCCNc1ccccc1S(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C14H18N4O2S/c1-2-15-12-5-3-4-6-13(12)21(19,20)18-10-9-17-8-7-16-14(17)11-18/h3-8,15H,2,9-11H2,1H3
InChIKeyYDWIQVPIMVLQPE-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.52
Rot. Bonds4

About 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline (PubChem CID 63021245) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline
PubChem CID63021245
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline
SMILESCCNc1ccccc1S(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C14H18N4O2S/c1-2-15-12-5-3-4-6-13(12)21(19,20)18-10-9-17-8-7-16-14(17)11-18/h3-8,15H,2,9-11H2,1H3
InChIKeyYDWIQVPIMVLQPE-UHFFFAOYSA-N
XLogP1.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline (CID 63021245) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline is CCNc1ccccc1S(=O)(=O)N1CCn2ccnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline?
The InChIKey is YDWIQVPIMVLQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-15-12-5-3-4-6-13(12)21(19,20)18-10-9-17-8-7-16-14(17)11-18/h3-8,15H,2,9-11H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline has a molecular weight of 306.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline is sourced from PubChem (CID 63021245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).