2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one

C10H13NOS — CID 82400016

IUPAC2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one
SMILESCc1cc2c(s1)C(=O)CNC(C)C2
InChIInChI=1S/C10H13NOS/c1-6-3-8-4-7(2)13-10(8)9(12)5-11-6/h4,6,11H,3,5H2,1-2H3
InChIKeyXWLWHDWEZJNBIU-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.77
Rot. Bonds

About 2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one

2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one (PubChem CID 82400016) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one.

Molecular Properties

Compound Name2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one
PubChem CID82400016
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one
SMILESCc1cc2c(s1)C(=O)CNC(C)C2
InChIInChI=1S/C10H13NOS/c1-6-3-8-4-7(2)13-10(8)9(12)5-11-6/h4,6,11H,3,5H2,1-2H3
InChIKeyXWLWHDWEZJNBIU-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one with MolForge

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Related Compounds

2-bromo-5-methyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one
CID 82380146
ethane;2-methyl-4,5,6,7-tetrahydrocyclohepta[b]thiophen-8-one
CID 143997047
6-methyl-1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridin-2-one
CID 45083024
2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid
CID 84667792
7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one
CID 82414662
(3S)-6-iodo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 131106139
ethyl 2-(2-methyl-6-oxo-4,5-dihydrocyclopenta[b]thiophen-5-yl)-2-oxoacetate
CID 67529431
3-methyl-1,2,3,4-tetrahydroisoquinoline-7-thiol
CID 142557918
2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 53213679
(2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol
CID 84659242
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 155921000
6,8-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375422

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one?
The IUPAC name of 2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one (CID 82400016) is 2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one.
What is the SMILES notation for 2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one?
The canonical SMILES for 2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one is Cc1cc2c(s1)C(=O)CNC(C)C2.
What is the InChIKey of 2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one?
The InChIKey is XWLWHDWEZJNBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-6-3-8-4-7(2)13-10(8)9(12)5-11-6/h4,6,11H,3,5H2,1-2H3.
What are the key properties of 2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one?
2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one has a molecular weight of 195.29 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one is sourced from PubChem (CID 82400016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).