5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane]

C13H16FNS — CID 115098008

IUPAC5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane]
SMILESFc1cccc2c1NCC1(CCCCC1)S2
InChIInChI=1S/C13H16FNS/c14-10-5-4-6-11-12(10)15-9-13(16-11)7-2-1-3-8-13/h4-6,15H,1-3,7-9H2
InChIKeyKKOCICDUCAKQLG-UHFFFAOYSA-N
MW237.34 g/mol
LogP4.05
Rot. Bonds

About 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane]

5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane] (PubChem CID 115098008) has the molecular formula C13H16FNS and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane].

Molecular Properties

Compound Name5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane]
PubChem CID115098008
Molecular FormulaC13H16FNS
Molecular Weight237.34 g/mol
Exact Mass237.10
IUPAC Name5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane]
SMILESFc1cccc2c1NCC1(CCCCC1)S2
InChIInChI=1S/C13H16FNS/c14-10-5-4-6-11-12(10)15-9-13(16-11)7-2-1-3-8-13/h4-6,15H,1-3,7-9H2
InChIKeyKKOCICDUCAKQLG-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane] 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

5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
CID 115096974
spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclobutane]-5-ol
CID 115097342
5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
CID 115096973
spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]
CID 115097599
7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]
CID 115097844
7-fluorospiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 83830130
5-fluoro-4H-1,4-benzothiazin-3-one
CID 12899266
spiro[4,5-dihydro-3H-1-benzothiepine-2,1'-cyclohexane]
CID 11107217
spiro[3,4-dihydrofuro[3,2-b][1,4]thiazine-2,1'-cyclopropane]
CID 82377297
6-(trifluoromethyl)spiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclopentane]
CID 115099544
6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]
CID 115099780
6-fluoro-3,3-dimethyl-2,5-dihydro-1,5-benzothiazepin-4-one
CID 115098386

Frequently Asked Questions

What is the IUPAC name of 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane]?
The IUPAC name of 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane] (CID 115098008) is 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane].
What is the SMILES notation for 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane]?
The canonical SMILES for 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane] is Fc1cccc2c1NCC1(CCCCC1)S2.
What is the InChIKey of 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane]?
The InChIKey is KKOCICDUCAKQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNS/c14-10-5-4-6-11-12(10)15-9-13(16-11)7-2-1-3-8-13/h4-6,15H,1-3,7-9H2.
What are the key properties of 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane]?
5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane] has a molecular weight of 237.34 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclohexane] is sourced from PubChem (CID 115098008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).