3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide

C15H26N2O2S — CID 79932128

IUPAC3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC(C)C1CN2CCCCC2CN1C1C=CS(=O)(=O)C1
InChIInChI=1S/C15H26N2O2S/c1-12(2)15-10-16-7-4-3-5-13(16)9-17(15)14-6-8-20(18,19)11-14/h6,8,12-15H,3-5,7,9-11H2,1-2H3
InChIKeyWIPHRPOKPVZVBM-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.49
Rot. Bonds2

About 3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide

3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 79932128) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID79932128
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC(C)C1CN2CCCCC2CN1C1C=CS(=O)(=O)C1
InChIInChI=1S/C15H26N2O2S/c1-12(2)15-10-16-7-4-3-5-13(16)9-17(15)14-6-8-20(18,19)11-14/h6,8,12-15H,3-5,7,9-11H2,1-2H3
InChIKeyWIPHRPOKPVZVBM-UHFFFAOYSA-N
XLogP1.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide with MolForge

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Related Compounds

2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926070
3-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944515
2-(2-methyloxolan-3-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 82737587
2-(dicyclopropylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915707
2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916422
2-(1-cyclopentylethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925947
2-(4-ethylcyclohexyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939155
2-(cyclopentylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926542
2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944735
2-butyl-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926630
2-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926699
3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939678

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide (CID 79932128) is 3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide is CC(C)C1CN2CCCCC2CN1C1C=CS(=O)(=O)C1.
What is the InChIKey of 3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is WIPHRPOKPVZVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-12(2)15-10-16-7-4-3-5-13(16)9-17(15)14-6-8-20(18,19)11-14/h6,8,12-15H,3-5,7,9-11H2,1-2H3.
What are the key properties of 3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide?
3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 298.45 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 79932128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).