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

C17H21N3O2S — CID 100741484

IUPACN,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCCc3ccccc32)cn1
InChIInChI=1S/C17H21N3O2S/c1-19(2)17-11-10-15(13-18-17)23(21,22)20-12-6-5-8-14-7-3-4-9-16(14)20/h3-4,7,9-11,13H,5-6,8,12H2,1-2H3
InChIKeyPXTUOCIJPQFXBR-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.68
Rot. Bonds3

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

N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine (PubChem CID 100741484) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine
PubChem CID100741484
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCCc3ccccc32)cn1
InChIInChI=1S/C17H21N3O2S/c1-19(2)17-11-10-15(13-18-17)23(21,22)20-12-6-5-8-14-7-3-4-9-16(14)20/h3-4,7,9-11,13H,5-6,8,12H2,1-2H3
InChIKeyPXTUOCIJPQFXBR-UHFFFAOYSA-N
XLogP2.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410
1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline
CID 126769651
1-[(5-bromo-3-pyridinyl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 62045598
2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenol
CID 81233664
4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 28796047
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 62998708
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide
CID 142476598
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 11567186
N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 17470307
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole
CID 110760559

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine (CID 100741484) is N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine is CN(C)c1ccc(S(=O)(=O)N2CCCCc3ccccc32)cn1.
What is the InChIKey of N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine?
The InChIKey is PXTUOCIJPQFXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19(2)17-11-10-15(13-18-17)23(21,22)20-12-6-5-8-14-7-3-4-9-16(14)20/h3-4,7,9-11,13H,5-6,8,12H2,1-2H3.
What are the key properties of N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine?
N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine has a molecular weight of 331.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine is sourced from PubChem (CID 100741484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).