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

C14H20N2O3S — CID 6467288

IUPAC2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOc1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-19-13-4-6-14(7-5-13)20(17,18)16-10-9-15-8-2-3-12(15)11-16/h4-7,12H,2-3,8-11H2,1H3
InChIKeyXXCRXJCKFLTCQG-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.16
Rot. Bonds3

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

2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 6467288) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID6467288
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOc1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-19-13-4-6-14(7-5-13)20(17,18)16-10-9-15-8-2-3-12(15)11-16/h4-7,12H,2-3,8-11H2,1H3
InChIKeyXXCRXJCKFLTCQG-UHFFFAOYSA-N
XLogP1.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 6467288) is 2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is COc1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is XXCRXJCKFLTCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-13-4-6-14(7-5-13)20(17,18)16-10-9-15-8-2-3-12(15)11-16/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 296.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 6467288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).