1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole

C17H25N3O2S — CID 133354493

IUPAC1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESO=S(=O)(c1ccc(N2CCC3CCCCC32)nc1)N1CCCC1
InChIInChI=1S/C17H25N3O2S/c21-23(22,19-10-3-4-11-19)15-7-8-17(18-13-15)20-12-9-14-5-1-2-6-16(14)20/h7-8,13-14,16H,1-6,9-12H2
InChIKeyHYZPBRURVKMOPI-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.63
Rot. Bonds3

About 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole

1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 133354493) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID133354493
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESO=S(=O)(c1ccc(N2CCC3CCCCC32)nc1)N1CCCC1
InChIInChI=1S/C17H25N3O2S/c21-23(22,19-10-3-4-11-19)15-7-8-17(18-13-15)20-12-9-14-5-1-2-6-16(14)20/h7-8,13-14,16H,1-6,9-12H2
InChIKeyHYZPBRURVKMOPI-UHFFFAOYSA-N
XLogP2.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole with MolForge

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Related Compounds

(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059848
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 36727474
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133281033
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
4-[[6-(2,3-dimethylpyrrolidin-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133357732
(4aR,8aR)-1-(5-chloro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727780
1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 133406857
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 114613060

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole (CID 133354493) is 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole is O=S(=O)(c1ccc(N2CCC3CCCCC32)nc1)N1CCCC1.
What is the InChIKey of 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is HYZPBRURVKMOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-23(22,19-10-3-4-11-19)15-7-8-17(18-13-15)20-12-9-14-5-1-2-6-16(14)20/h7-8,13-14,16H,1-6,9-12H2.
What are the key properties of 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 335.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 133354493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).