7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C13H22N4O2S — CID 63026988

IUPAC7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(CCC1CCCCN1)N1CCn2ccnc2C1
InChIInChI=1S/C13H22N4O2S/c18-20(19,10-4-12-3-1-2-5-14-12)17-9-8-16-7-6-15-13(16)11-17/h6-7,12,14H,1-5,8-11H2
InChIKeyBYAMNDODXWCRKK-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.56
Rot. Bonds4

About 7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 63026988) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID63026988
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(CCC1CCCCN1)N1CCn2ccnc2C1
InChIInChI=1S/C13H22N4O2S/c18-20(19,10-4-12-3-1-2-5-14-12)17-9-8-16-7-6-15-13(16)11-17/h6-7,12,14H,1-5,8-11H2
InChIKeyBYAMNDODXWCRKK-UHFFFAOYSA-N
XLogP0.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-piperidin-2-ylethylsulfonyl)-1,4-diazepan-2-one
CID 65364180
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 119874185
(4aR,8aR)-1-(2-piperidin-2-ylethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726522
4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine
CID 61421410
1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine
CID 114537116
[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
CID 60890880
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine
CID 63014488
7,7-dimethyl-4-(2-piperidin-2-ylethylsulfonyl)-1,4-thiazepane
CID 107456569
7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 86774701
4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one
CID 54973565
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941881
2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
CID 24747372

Frequently Asked Questions

What is the IUPAC name of 7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 63026988) is 7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is O=S(=O)(CCC1CCCCN1)N1CCn2ccnc2C1.
What is the InChIKey of 7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is BYAMNDODXWCRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c18-20(19,10-4-12-3-1-2-5-14-12)17-9-8-16-7-6-15-13(16)11-17/h6-7,12,14H,1-5,8-11H2.
What are the key properties of 7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 298.41 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 63026988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).