4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine

C13H25N3O3S — CID 102680815

IUPAC4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCCC3CNCC32)CC(C)O1
InChIInChI=1S/C13H25N3O3S/c1-10-8-15(9-11(2)19-10)20(17,18)16-5-3-4-12-6-14-7-13(12)16/h10-14H,3-9H2,1-2H3
InChIKeyJTJNWEHDVUYHJR-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.02
Rot. Bonds2

About 4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine

4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine (PubChem CID 102680815) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine
PubChem CID102680815
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCCC3CNCC32)CC(C)O1
InChIInChI=1S/C13H25N3O3S/c1-10-8-15(9-11(2)19-10)20(17,18)16-5-3-4-12-6-14-7-13(12)16/h10-14H,3-9H2,1-2H3
InChIKeyJTJNWEHDVUYHJR-UHFFFAOYSA-N
XLogP0.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine with MolForge

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Related Compounds

(2R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 55150411
3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60977614
2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride
CID 119969720
1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60978162
tert-butyl (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpyrrolidine-2-carboxylate
CID 95789114
2,6-dimethyl-4-piperazin-1-ylsulfonylmorpholine;hydrochloride
CID 119961532
4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
CID 120725700
4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
CID 64980380
(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 98700562
2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 122558292
2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine
CID 51330890
4-[[(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl]sulfonyl]-5-methyl-1,2-oxazol-3-amine
CID 128845773

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine (CID 102680815) is 4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)N2CCCC3CNCC32)CC(C)O1.
What is the InChIKey of 4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine?
The InChIKey is JTJNWEHDVUYHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-10-8-15(9-11(2)19-10)20(17,18)16-5-3-4-12-6-14-7-13(12)16/h10-14H,3-9H2,1-2H3.
What are the key properties of 4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine?
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine has a molecular weight of 303.43 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 102680815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).