[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine

C14H21N3O2S — CID 82751843

IUPAC[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCC3CCCCC32)nc1
InChIInChI=1S/C14H21N3O2S/c15-9-11-5-6-14(16-10-11)20(18,19)17-8-7-12-3-1-2-4-13(12)17/h5-6,10,12-13H,1-4,7-9,15H2
InChIKeyTVSWYBJVZOZHFT-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.49
Rot. Bonds3

About [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine

[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine (PubChem CID 82751843) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine
PubChem CID82751843
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCC3CCCCC32)nc1
InChIInChI=1S/C14H21N3O2S/c15-9-11-5-6-14(16-10-11)20(18,19)17-8-7-12-3-1-2-4-13(12)17/h5-6,10,12-13H,1-4,7-9,15H2
InChIKeyTVSWYBJVZOZHFT-UHFFFAOYSA-N
XLogP1.49
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine with MolForge

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Related Compounds

[6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine
CID 104692865
2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 82752347
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine
CID 65319523
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine
CID 82753407
[6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine
CID 66383105
[1-[(5-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638663
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonylmethyl)phenyl]methanamine
CID 65319374
1-[[5-(chloromethyl)-2-pyridinyl]sulfonyl]-2-ethylazepane
CID 104692863
5-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-2-sulfonamide
CID 106002921
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
CID 82752813
5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide
CID 114141679
2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
CID 47320753

Frequently Asked Questions

What is the IUPAC name of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine (CID 82751843) is [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine is NCc1ccc(S(=O)(=O)N2CCC3CCCCC32)nc1.
What is the InChIKey of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine?
The InChIKey is TVSWYBJVZOZHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-9-11-5-6-14(16-10-11)20(18,19)17-8-7-12-3-1-2-4-13(12)17/h5-6,10,12-13H,1-4,7-9,15H2.
What are the key properties of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine?
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine has a molecular weight of 295.41 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 82751843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).