5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine

C14H21N3O2S — CID 62147207

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine
SMILESNc1ccc(S(=O)(=O)N2CCC3CCCCC3C2)cn1
InChIInChI=1S/C14H21N3O2S/c15-14-6-5-13(9-16-14)20(18,19)17-8-7-11-3-1-2-4-12(11)10-17/h5-6,9,11-12H,1-4,7-8,10H2,(H2,15,16)
InChIKeyAKIWHNILBXGKJH-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.86
Rot. Bonds2

About 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine

5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine (PubChem CID 62147207) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine
PubChem CID62147207
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine
SMILESNc1ccc(S(=O)(=O)N2CCC3CCCCC3C2)cn1
InChIInChI=1S/C14H21N3O2S/c15-14-6-5-13(9-16-14)20(18,19)17-8-7-11-3-1-2-4-12(11)10-17/h5-6,9,11-12H,1-4,7-8,10H2,(H2,15,16)
InChIKeyAKIWHNILBXGKJH-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline
CID 139013801
5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 63174663
5-(4-cyclopentylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62369821
2-(4-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43404978
5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
CID 62968539
1-[1-[(6-amino-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106835157
2-[4-(bromomethyl)phenyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 65482385
(4aS,8aS)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926564
5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 62159105
(4aS,8aS)-2-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926600
5-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 11933540
5-(4-cyclohexylpiperidin-1-yl)pyridin-2-amine
CID 165041944

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine (CID 62147207) is 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine is Nc1ccc(S(=O)(=O)N2CCC3CCCCC3C2)cn1.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine?
The InChIKey is AKIWHNILBXGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-14-6-5-13(9-16-14)20(18,19)17-8-7-11-3-1-2-4-12(11)10-17/h5-6,9,11-12H,1-4,7-8,10H2,(H2,15,16).
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine?
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine has a molecular weight of 295.41 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine is sourced from PubChem (CID 62147207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).