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

C9H11ClN2OS — CID 134417636

IUPAC(6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
SMILESCN1C(=O)[C@@H](N)CCc2sc(Cl)cc21
InChIInChI=1S/C9H11ClN2OS/c1-12-6-4-8(10)14-7(6)3-2-5(11)9(12)13/h4-5H,2-3,11H2,1H3/t5-/m0/s1
InChIKeyGOZSCSYHNNZXGQ-YFKPBYRVSA-N
MW230.72 g/mol
LogP1.64
Rot. Bonds

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

(6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one (PubChem CID 134417636) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is (6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one.

Molecular Properties

Compound Name(6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
PubChem CID134417636
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name(6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
SMILESCN1C(=O)[C@@H](N)CCc2sc(Cl)cc21
InChIInChI=1S/C9H11ClN2OS/c1-12-6-4-8(10)14-7(6)3-2-5(11)9(12)13/h4-5H,2-3,11H2,1H3/t5-/m0/s1
InChIKeyGOZSCSYHNNZXGQ-YFKPBYRVSA-N
XLogP1.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one with MolForge

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Related Compounds

(6S)-6-amino-4-methyl-1,6,7,8-tetrahydropyrazolo[4,5-b]azepin-5-one
CID 142375343
3-amino-1,7-dimethyl-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione
CID 134458833
(3R)-3-amino-1-methylpiperidine-2,6-dione;hydrobromide
CID 146401292
7-[(6-azido-2-chloro-5-oxo-7,8-dihydro-6H-thieno[3,2-b]azepin-4-yl)methyl]-2-chloro-6-iodo-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
CID 134201738
2-chloro-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82277947
(3S)-3-amino-7-methoxy-1-methyl-4,5-dihydro-3H-pyrido[3,4-b]azepin-2-one
CID 134607539
(3R)-3-amino-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 69196199
3-amino-7-chloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 21091531
5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one
CID 81251733
7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one
CID 130314087
3,6-diamino-1-methyl-7-(methyliminomethyl)-4,5-dihydro-3H-azepin-2-one
CID 130341288
8-amino-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
CID 121207180

Frequently Asked Questions

What is the IUPAC name of (6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one?
The IUPAC name of (6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one (CID 134417636) is (6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one.
What is the SMILES notation for (6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one?
The canonical SMILES for (6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one is CN1C(=O)[C@@H](N)CCc2sc(Cl)cc21.
What is the InChIKey of (6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one?
The InChIKey is GOZSCSYHNNZXGQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c1-12-6-4-8(10)14-7(6)3-2-5(11)9(12)13/h4-5H,2-3,11H2,1H3/t5-/m0/s1.
What are the key properties of (6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one?
(6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one has a molecular weight of 230.72 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-amino-2-chloro-4-methyl-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one is sourced from PubChem (CID 134417636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).