8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one

C9H12N2OS — CID 121207180

IUPAC8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
SMILESCN1C(=O)CCC(N)c2sccc21
InChIInChI=1S/C9H12N2OS/c1-11-7-4-5-13-9(7)6(10)2-3-8(11)12/h4-6H,2-3,10H2,1H3
InChIKeyYJOZSBBNMXNBIC-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.50
Rot. Bonds

About 8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one

8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one (PubChem CID 121207180) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one.

Molecular Properties

Compound Name8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
PubChem CID121207180
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
SMILESCN1C(=O)CCC(N)c2sccc21
InChIInChI=1S/C9H12N2OS/c1-11-7-4-5-13-9(7)6(10)2-3-8(11)12/h4-6H,2-3,10H2,1H3
InChIKeyYJOZSBBNMXNBIC-UHFFFAOYSA-N
XLogP1.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-1-methylpiperidine-2,6-dione;hydrobromide
CID 146401292
(7R)-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
CID 92981428
4-amino-5,6-dihydro-4H-1-benzothiophen-7-one
CID 23347796
1-methyl-6-pyrrolidin-2-yl-3,4-dihydroquinolin-2-one
CID 82288921
1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
CID 63097473
4-amino-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;hydrochloride
CID 21319855
(6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
CID 134417636
6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63796681
6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 80641053
6-[(3-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 80642258
6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
CID 112714388
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one?
The IUPAC name of 8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one (CID 121207180) is 8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one.
What is the SMILES notation for 8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one?
The canonical SMILES for 8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one is CN1C(=O)CCC(N)c2sccc21.
What is the InChIKey of 8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one?
The InChIKey is YJOZSBBNMXNBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-11-7-4-5-13-9(7)6(10)2-3-8(11)12/h4-6H,2-3,10H2,1H3.
What are the key properties of 8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one?
8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one has a molecular weight of 196.27 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one is sourced from PubChem (CID 121207180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).