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

C12H15NOS2 — CID 18731843

IUPAC6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione
SMILESCc1cc2c(s1)C1(CCCCC1)OC(=S)N2
InChIInChI=1S/C12H15NOS2/c1-8-7-9-10(16-8)12(14-11(15)13-9)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyXRMVYZXPAGVBAV-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.94
Rot. Bonds

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

6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione (PubChem CID 18731843) has the molecular formula C12H15NOS2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione.

Molecular Properties

Compound Name6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione
PubChem CID18731843
Molecular FormulaC12H15NOS2
Molecular Weight253.39 g/mol
Exact Mass253.06
IUPAC Name6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione
SMILESCc1cc2c(s1)C1(CCCCC1)OC(=S)N2
InChIInChI=1S/C12H15NOS2/c1-8-7-9-10(16-8)12(14-11(15)13-9)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyXRMVYZXPAGVBAV-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one
CID 18731842
7-methylspiro[4H-1,4-benzoxazine-2,1'-cyclohexane]-3-one
CID 115098131
2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303461
6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid
CID 83908158
1-oxa-3-azaspiro[4.5]decane-2-thione
CID 10236033
CID 123774898
CID 123774898
3-[bromo-(1-methylcyclohexyl)methyl]-2,5-dimethylthiophene
CID 106828516
[1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane
CID 57153350
3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane
CID 91260491
3-methyl-1-oxa-2-azaspiro[4.4]non-3-ene
CID 123672305
(5-methylthiophen-3-yl)-(1-piperidin-1-ylcyclopentyl)methanol
CID 79059249
[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol
CID 62521865

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione?
The IUPAC name of 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione (CID 18731843) is 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione.
What is the SMILES notation for 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione?
The canonical SMILES for 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione is Cc1cc2c(s1)C1(CCCCC1)OC(=S)N2.
What is the InChIKey of 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione?
The InChIKey is XRMVYZXPAGVBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS2/c1-8-7-9-10(16-8)12(14-11(15)13-9)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of 6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione?
6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-thione has a molecular weight of 253.39 g/mol, XLogP of 3.94, 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-thione is sourced from PubChem (CID 18731843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).