8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one

C12H12FNOS — CID 115097593

IUPAC8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one
SMILESO=C1Nc2cccc(F)c2SC12CCCC2
InChIInChI=1S/C12H12FNOS/c13-8-4-3-5-9-10(8)16-12(11(15)14-9)6-1-2-7-12/h3-5H,1-2,6-7H2,(H,14,15)
InChIKeyCLASLFIUSKXMSJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.18
Rot. Bonds

About 8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one

8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one (PubChem CID 115097593) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one.

Molecular Properties

Compound Name8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one
PubChem CID115097593
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one
SMILESO=C1Nc2cccc(F)c2SC12CCCC2
InChIInChI=1S/C12H12FNOS/c13-8-4-3-5-9-10(8)16-12(11(15)14-9)6-1-2-7-12/h3-5H,1-2,6-7H2,(H,14,15)
InChIKeyCLASLFIUSKXMSJ-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-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

8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096866
8-(trifluoromethyl)spiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096863
8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one
CID 115097235
6-(trifluoromethyl)spiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one
CID 115097759
5-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097635
4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096911
5-thia-7-azaspiro[3.4]octane-6,8-dione
CID 137401816
9-methoxyspiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopentane]-4-one
CID 115099479
2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 15338106
6-fluoro-1,1-dioxospiro[2,5-dihydro-1λ6,5-benzothiazepine-3,1'-cyclopentane]-4-one
CID 115099527
3-(2,6-difluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83036180
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753

Frequently Asked Questions

What is the IUPAC name of 8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one?
The IUPAC name of 8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one (CID 115097593) is 8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one.
What is the SMILES notation for 8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one?
The canonical SMILES for 8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one is O=C1Nc2cccc(F)c2SC12CCCC2.
What is the InChIKey of 8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one?
The InChIKey is CLASLFIUSKXMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-8-4-3-5-9-10(8)16-12(11(15)14-9)6-1-2-7-12/h3-5H,1-2,6-7H2,(H,14,15).
What are the key properties of 8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one?
8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one has a molecular weight of 237.30 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one is sourced from PubChem (CID 115097593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).