6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one

C12H15NO2S — CID 18731842

IUPAC6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one
SMILESCc1cc2c(s1)C1(CCCCC1)OC(=O)N2
InChIInChI=1S/C12H15NO2S/c1-8-7-9-10(16-8)12(15-11(14)13-9)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyKGIQXOFNCADNHY-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.78
Rot. Bonds

About 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one

6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one (PubChem CID 18731842) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one
PubChem CID18731842
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one
SMILESCc1cc2c(s1)C1(CCCCC1)OC(=O)N2
InChIInChI=1S/C12H15NO2S/c1-8-7-9-10(16-8)12(15-11(14)13-9)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyKGIQXOFNCADNHY-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione
CID 18731843
4-imino-1-oxa-3-azaspiro[4.5]decan-2-one
CID 137346492
7-methylspiro[4H-1,4-benzoxazine-2,1'-cyclohexane]-3-one
CID 115098131
4-methyl-3-(2-oxospiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)pent-2-enenitrile
CID 68916668
5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
CID 117103646
3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane
CID 91260491
6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid
CID 83908158
4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile
CID 45091872
ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 176678113
3-(4-bromo-3-methylphenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 59159669
3,3-dimethyl-1-oxaspiro[3.6]decan-2-one
CID 14540537
1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 21303276

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one?
The IUPAC name of 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one (CID 18731842) is 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one.
What is the SMILES notation for 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one?
The canonical SMILES for 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one is Cc1cc2c(s1)C1(CCCCC1)OC(=O)N2.
What is the InChIKey of 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one?
The InChIKey is KGIQXOFNCADNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-8-7-9-10(16-8)12(15-11(14)13-9)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one?
6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one has a molecular weight of 237.32 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one is sourced from PubChem (CID 18731842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).