8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one

C16H18N2O2S — CID 104525588

IUPAC8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESCOc1ccsc1C(N)c1ccc2c(c1)C(=O)NCCC2
InChIInChI=1S/C16H18N2O2S/c1-20-13-6-8-21-15(13)14(17)11-5-4-10-3-2-7-18-16(19)12(10)9-11/h4-6,8-9,14H,2-3,7,17H2,1H3,(H,18,19)
InChIKeyGXNYDZCFNOSAPH-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.48
Rot. Bonds3

About 8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one

8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 104525588) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID104525588
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESCOc1ccsc1C(N)c1ccc2c(c1)C(=O)NCCC2
InChIInChI=1S/C16H18N2O2S/c1-20-13-6-8-21-15(13)14(17)11-5-4-10-3-2-7-18-16(19)12(10)9-11/h4-6,8-9,14H,2-3,7,17H2,1H3,(H,18,19)
InChIKeyGXNYDZCFNOSAPH-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one with MolForge

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Related Compounds

7-[amino-(3-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 80644575
8-[amino-(5-ethylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525563
6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 81122117
8-[bromo-(4-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526492
8-(1-chloroethyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526384
8-(1-bromopropyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526517
8-[chloro-(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526381
8-[amino(7-bicyclo[4.1.0]heptanyl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525589
8-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 103557871
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
8-[cyclobutyl(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525702
(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 105013575

Frequently Asked Questions

What is the IUPAC name of 8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 104525588) is 8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one is COc1ccsc1C(N)c1ccc2c(c1)C(=O)NCCC2.
What is the InChIKey of 8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is GXNYDZCFNOSAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-13-6-8-21-15(13)14(17)11-5-4-10-3-2-7-18-16(19)12(10)9-11/h4-6,8-9,14H,2-3,7,17H2,1H3,(H,18,19).
What are the key properties of 8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 302.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 104525588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).