N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C14H16N2S — CID 103982407

IUPACN-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2Nc1ccsc1
InChIInChI=1S/C14H16N2S/c1-2-4-13-11(3-1)9-15-7-5-14(13)16-12-6-8-17-10-12/h1-4,6,8,10,14-16H,5,7,9H2
InChIKeyUGIOSQUNPVLPDT-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.39
Rot. Bonds2

About N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103982407) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103982407
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2Nc1ccsc1
InChIInChI=1S/C14H16N2S/c1-2-4-13-11(3-1)9-15-7-5-14(13)16-12-6-8-17-10-12/h1-4,6,8,10,14-16H,5,7,9H2
InChIKeyUGIOSQUNPVLPDT-UHFFFAOYSA-N
XLogP3.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 107588061
N-(3-bromophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980512
N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361432
N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980336
N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980493
N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine
CID 103982417
N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982414
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517
N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980315
N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981456
N-(4-bromo-2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980862
2,5-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)phenol
CID 106953979

Frequently Asked Questions

What is the IUPAC name of N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103982407) is N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is c1ccc2c(c1)CNCCC2Nc1ccsc1.
What is the InChIKey of N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is UGIOSQUNPVLPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-4-13-11(3-1)9-15-7-5-14(13)16-12-6-8-17-10-12/h1-4,6,8,10,14-16H,5,7,9H2.
What are the key properties of N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 244.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103982407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).