2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C15H22N2O2S — CID 86768437

IUPAC2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(CCc1ccccc1)N1CCN2CCCC2C1
InChIInChI=1S/C15H22N2O2S/c18-20(19,12-8-14-5-2-1-3-6-14)17-11-10-16-9-4-7-15(16)13-17/h1-3,5-6,15H,4,7-13H2
InChIKeyPPUOSVMKHMSGHH-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.34
Rot. Bonds4

About 2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 86768437) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID86768437
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(CCc1ccccc1)N1CCN2CCCC2C1
InChIInChI=1S/C15H22N2O2S/c18-20(19,12-8-14-5-2-1-3-6-14)17-11-10-16-9-4-7-15(16)13-17/h1-3,5-6,15H,4,7-13H2
InChIKeyPPUOSVMKHMSGHH-UHFFFAOYSA-N
XLogP1.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

1-(oxolan-3-yl)-4-(2-phenylethylsulfonyl)-1,4-diazepane
CID 134161023
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine
CID 25384275
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propan-1-amine
CID 79938331
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)benzoic acid
CID 60952156
1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627597
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonylmethyl)aniline
CID 61107563
3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine
CID 81457446
[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)phenyl]methanol
CID 79937525
1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 42291255

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 86768437) is 2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(CCc1ccccc1)N1CCN2CCCC2C1.
What is the InChIKey of 2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PPUOSVMKHMSGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19,12-8-14-5-2-1-3-6-14)17-11-10-16-9-4-7-15(16)13-17/h1-3,5-6,15H,4,7-13H2.
What are the key properties of 2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 294.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 86768437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).