3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C13H25N3O2S — CID 79924714

IUPAC3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1S(=O)(=O)C1CCNC1
InChIInChI=1S/C13H25N3O2S/c1-11-9-15-7-3-2-4-12(15)10-16(11)19(17,18)13-5-6-14-8-13/h11-14H,2-10H2,1H3
InChIKeyJAQBZJZEZMCCTA-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.24
Rot. Bonds2

About 3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79924714) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79924714
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1S(=O)(=O)C1CCNC1
InChIInChI=1S/C13H25N3O2S/c1-11-9-15-7-3-2-4-12(15)10-16(11)19(17,18)13-5-6-14-8-13/h11-14H,2-10H2,1H3
InChIKeyJAQBZJZEZMCCTA-UHFFFAOYSA-N
XLogP0.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-pyrrolidin-3-ylmethanone
CID 79937868
(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone
CID 79935190
2-ethyl-1-pyrrolidin-3-ylsulfonylpiperidine
CID 65419409
1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine
CID 96509377
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134574
2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)sulfonyl]propanethioamide
CID 79931312
(3R,8aR)-3-methyl-2-propylsulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129425480
N-[2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)sulfonyl]ethyl]propan-1-amine
CID 79931278
2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 89116377
3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934877
4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]aniline
CID 79941038
[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine
CID 79919969

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79924714) is 3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC1CN2CCCCC2CN1S(=O)(=O)C1CCNC1.
What is the InChIKey of 3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is JAQBZJZEZMCCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-11-9-15-7-3-2-4-12(15)10-16(11)19(17,18)13-5-6-14-8-13/h11-14H,2-10H2,1H3.
What are the key properties of 3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 287.43 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyrrolidin-3-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79924714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).