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

C15H15ClN2OS — CID 62277824

IUPAC7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNC(c1ccc2c(c1)CCCC(=O)N2)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClN2OS/c16-13-7-6-12(20-13)15(17)10-4-5-11-9(8-10)2-1-3-14(19)18-11/h4-8,15H,1-3,17H2,(H,18,19)
InChIKeyUINIVLZLPLPMHL-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.72
Rot. Bonds2

About 7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 62277824) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID62277824
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNC(c1ccc2c(c1)CCCC(=O)N2)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClN2OS/c16-13-7-6-12(20-13)15(17)10-4-5-11-9(8-10)2-1-3-14(19)18-11/h4-8,15H,1-3,17H2,(H,18,19)
InChIKeyUINIVLZLPLPMHL-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[amino-(4-chlorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342872
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
7-[chloro-(5-methylthiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61085236
7-[amino-(5-bromofuran-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464756
7-[amino-(3-methylthiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464752
6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 80536155
7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342867
7-(1-amino-3,3,3-trifluoropropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165286
(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 62275925
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
6-[amino-(5-bromo-4-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79981205
7-[chloro(phenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086259

Frequently Asked Questions

What is the IUPAC name of 7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 62277824) is 7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is NC(c1ccc2c(c1)CCCC(=O)N2)c1ccc(Cl)s1.
What is the InChIKey of 7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is UINIVLZLPLPMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-13-7-6-12(20-13)15(17)10-4-5-11-9(8-10)2-1-3-14(19)18-11/h4-8,15H,1-3,17H2,(H,18,19).
What are the key properties of 7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 306.82 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 62277824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).