8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one

C10H8ClNOS — CID 115096866

IUPAC8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
SMILESO=C1Nc2cccc(Cl)c2SC12CC2
InChIInChI=1S/C10H8ClNOS/c11-6-2-1-3-7-8(6)14-10(4-5-10)9(13)12-7/h1-3H,4-5H2,(H,12,13)
InChIKeyXXOKJXSZZWIUEM-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.92
Rot. Bonds

About 8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one

8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one (PubChem CID 115096866) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
PubChem CID115096866
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
SMILESO=C1Nc2cccc(Cl)c2SC12CC2
InChIInChI=1S/C10H8ClNOS/c11-6-2-1-3-7-8(6)14-10(4-5-10)9(13)12-7/h1-3H,4-5H2,(H,12,13)
InChIKeyXXOKJXSZZWIUEM-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(trifluoromethyl)spiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096863
8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one
CID 115097593
8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one
CID 115097235
4-chloro-3,3-dimethyl-1H-indol-2-one
CID 53402598
3-oxospiro[4H-thieno[3,4-b][1,4]thiazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82376411
5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097277
7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one
CID 145473235
(2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
CID 122376714
8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 83754411
2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one
CID 135989486
8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
CID 104839626
6-chloro-3,3,4,4-tetramethyl-1,5-dihydro-1,5-benzodiazepin-2-one
CID 79291566

Frequently Asked Questions

What is the IUPAC name of 8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one?
The IUPAC name of 8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one (CID 115096866) is 8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one?
The canonical SMILES for 8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one is O=C1Nc2cccc(Cl)c2SC12CC2.
What is the InChIKey of 8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one?
The InChIKey is XXOKJXSZZWIUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c11-6-2-1-3-7-8(6)14-10(4-5-10)9(13)12-7/h1-3H,4-5H2,(H,12,13).
What are the key properties of 8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one?
8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one has a molecular weight of 225.70 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 115096866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).