(8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C11H20N2O3S — CID 129461062

IUPAC(8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)([C@H]1CCOC1)N1CCN2CCC[C@H]2C1
InChIInChI=1S/C11H20N2O3S/c14-17(15,11-3-7-16-9-11)13-6-5-12-4-1-2-10(12)8-13/h10-11H,1-9H2/t10-,11-/m0/s1
InChIKeyLPXICDKKMOXWKN-QWRGUYRKSA-N
MW260.36 g/mol
LogP-0.11
Rot. Bonds2

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

(8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 129461062) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID129461062
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)([C@H]1CCOC1)N1CCN2CCC[C@H]2C1
InChIInChI=1S/C11H20N2O3S/c14-17(15,11-3-7-16-9-11)13-6-5-12-4-1-2-10(12)8-13/h10-11H,1-9H2/t10-,11-/m0/s1
InChIKeyLPXICDKKMOXWKN-QWRGUYRKSA-N
XLogP-0.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826067
1-(oxolan-3-yl)-4-pyrrolidin-1-ylsulfonyl-1,4-diazepane
CID 131901038
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonyl chloride
CID 115649520
(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120875759
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine
CID 79938355
(3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine
CID 100627309
1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propan-1-amine
CID 79938331
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propanoic acid
CID 54947759
3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120875403
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidine-3-carboxylic acid
CID 60950372

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 129461062) is (8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)([C@H]1CCOC1)N1CCN2CCC[C@H]2C1.
What is the InChIKey of (8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is LPXICDKKMOXWKN-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-17(15,11-3-7-16-9-11)13-6-5-12-4-1-2-10(12)8-13/h10-11H,1-9H2/t10-,11-/m0/s1.
What are the key properties of (8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 260.36 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 129461062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).