3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine

C14H21N3O2S — CID 102725260

IUPAC3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine
SMILESNc1ncccc1S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H21N3O2S/c15-14-13(8-3-9-16-14)20(18,19)17-10-4-6-11-5-1-2-7-12(11)17/h3,8-9,11-12H,1-2,4-7,10H2,(H2,15,16)/t11-,12-/m1/s1
InChIKeyILISREYPRVFBDP-VXGBXAGGSA-N
MW295.41 g/mol
LogP2.01
Rot. Bonds2

About 3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine

3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine (PubChem CID 102725260) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine
PubChem CID102725260
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine
SMILESNc1ncccc1S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H21N3O2S/c15-14-13(8-3-9-16-14)20(18,19)17-10-4-6-11-5-1-2-7-12(11)17/h3,8-9,11-12H,1-2,4-7,10H2,(H2,15,16)/t11-,12-/m1/s1
InChIKeyILISREYPRVFBDP-VXGBXAGGSA-N
XLogP2.01
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65318853
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-3-amine
CID 103307983
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-amino-3-pyridinyl)sulfonyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194290
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine
CID 103301021
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 82753381
1-(2-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 47104020
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)phenyl]hydrazine
CID 43628435
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
CID 82752813
2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 61045786
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine
CID 65324950
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-5-chloroaniline
CID 102725258

Frequently Asked Questions

What is the IUPAC name of 3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine?
The IUPAC name of 3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine (CID 102725260) is 3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine.
What is the SMILES notation for 3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine?
The canonical SMILES for 3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine is Nc1ncccc1S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine?
The InChIKey is ILISREYPRVFBDP-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-14-13(8-3-9-16-14)20(18,19)17-10-4-6-11-5-1-2-7-12(11)17/h3,8-9,11-12H,1-2,4-7,10H2,(H2,15,16)/t11-,12-/m1/s1.
What are the key properties of 3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine?
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine has a molecular weight of 295.41 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine is sourced from PubChem (CID 102725260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).