2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine

C15H17N3O2S — CID 103306193

IUPAC2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)N1CCc2ccccc2CC1
InChIInChI=1S/C15H17N3O2S/c16-14-6-3-9-17-15(14)21(19,20)18-10-7-12-4-1-2-5-13(12)8-11-18/h1-6,9H,7-8,10-11,16H2
InChIKeyJDTZOHQDMUEEOF-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.45
Rot. Bonds2

About 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine

2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine (PubChem CID 103306193) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine
PubChem CID103306193
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)N1CCc2ccccc2CC1
InChIInChI=1S/C15H17N3O2S/c16-14-6-3-9-17-15(14)21(19,20)18-10-7-12-4-1-2-5-13(12)8-11-18/h1-6,9H,7-8,10-11,16H2
InChIKeyJDTZOHQDMUEEOF-UHFFFAOYSA-N
XLogP1.45
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-pyridinyl]hydrazine
CID 103300872
2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine
CID 103305842
2-(3,4-dimethylpiperidin-1-yl)sulfonylpyridin-3-amine
CID 103307665
4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one
CID 103306320
2-(3,4-dimethylpiperazin-1-yl)sulfonylpyridin-3-amine
CID 103306013
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-3-amine
CID 103307983
2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 103300054
[4-[(3-amino-2-pyridinyl)sulfonyl]morpholin-2-yl]methanol
CID 103306629
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
2-(1H-pyrazol-5-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 102691582
2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methylaniline
CID 43452422
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine?
The IUPAC name of 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine (CID 103306193) is 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine.
What is the SMILES notation for 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine?
The canonical SMILES for 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine is Nc1cccnc1S(=O)(=O)N1CCc2ccccc2CC1.
What is the InChIKey of 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine?
The InChIKey is JDTZOHQDMUEEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-14-6-3-9-17-15(14)21(19,20)18-10-7-12-4-1-2-5-13(12)8-11-18/h1-6,9H,7-8,10-11,16H2.
What are the key properties of 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine?
2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine has a molecular weight of 303.39 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine is sourced from PubChem (CID 103306193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).