1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one

C18H21N3O3S — CID 41142720

IUPAC1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one
SMILESC[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H21N3O3S/c1-14-17-4-2-10-19(17)12-13-21(14)25(23,24)16-8-6-15(7-9-16)20-11-3-5-18(20)22/h2,4,6-10,14H,3,5,11-13H2,1H3/t14-/m0/s1
InChIKeyDZJUXEHITULOGY-AWEZNQCLSA-N
MW359.45 g/mol
LogP2.38
Rot. Bonds3

About 1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one

1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one (PubChem CID 41142720) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one
PubChem CID41142720
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one
SMILESC[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H21N3O3S/c1-14-17-4-2-10-19(17)12-13-21(14)25(23,24)16-8-6-15(7-9-16)20-11-3-5-18(20)22/h2,4,6-10,14H,3,5,11-13H2,1H3/t14-/m0/s1
InChIKeyDZJUXEHITULOGY-AWEZNQCLSA-N
XLogP2.38
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one (CID 41142720) is 1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one is C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one?
The InChIKey is DZJUXEHITULOGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-17-4-2-10-19(17)12-13-21(14)25(23,24)16-8-6-15(7-9-16)20-11-3-5-18(20)22/h2,4,6-10,14H,3,5,11-13H2,1H3/t14-/m0/s1.
What are the key properties of 1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one?
1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one has a molecular weight of 359.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 41142720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).