3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine

C15H23N3O2S — CID 82752813

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
SMILESCCNc1ncccc1S(=O)(=O)N1CCC2CCCCC21
InChIInChI=1S/C15H23N3O2S/c1-2-16-15-14(8-5-10-17-15)21(19,20)18-11-9-12-6-3-4-7-13(12)18/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,16,17)
InChIKeyVORVFINDGDBHTF-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.47
Rot. Bonds4

About 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine (PubChem CID 82752813) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
PubChem CID82752813
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
SMILESCCNc1ncccc1S(=O)(=O)N1CCC2CCCCC21
InChIInChI=1S/C15H23N3O2S/c1-2-16-15-14(8-5-10-17-15)21(19,20)18-11-9-12-6-3-4-7-13(12)18/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,16,17)
InChIKeyVORVFINDGDBHTF-UHFFFAOYSA-N
XLogP2.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine with MolForge

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Related Compounds

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 82753381
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-methylpyridin-2-amine
CID 102728064
[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62157239
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 106588741
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 55043660
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine
CID 102725260
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
CID 102964473
1-[(2-chloro-3-pyridinyl)sulfonyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65318853
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108237
N-ethyl-3-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148584

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine (CID 82752813) is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine is CCNc1ncccc1S(=O)(=O)N1CCC2CCCCC21.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine?
The InChIKey is VORVFINDGDBHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-16-15-14(8-5-10-17-15)21(19,20)18-11-9-12-6-3-4-7-13(12)18/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,16,17).
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine?
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine has a molecular weight of 309.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 82752813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).