7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]

C12H14ClNS — CID 115097844

IUPAC7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]
SMILESClc1ccc2c(c1)SC1(CCCC1)CN2
InChIInChI=1S/C12H14ClNS/c13-9-3-4-10-11(7-9)15-12(8-14-10)5-1-2-6-12/h3-4,7,14H,1-2,5-6,8H2
InChIKeyBSXKLZOPMXXQNJ-UHFFFAOYSA-N
MW239.77 g/mol
LogP4.17
Rot. Bonds

About 7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]

7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane] (PubChem CID 115097844) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is 7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane].

Molecular Properties

Compound Name7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]
PubChem CID115097844
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]
SMILESClc1ccc2c(c1)SC1(CCCC1)CN2
InChIInChI=1S/C12H14ClNS/c13-9-3-4-10-11(7-9)15-12(8-14-10)5-1-2-6-12/h3-4,7,14H,1-2,5-6,8H2
InChIKeyBSXKLZOPMXXQNJ-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]?
The IUPAC name of 7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane] (CID 115097844) is 7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane].
What is the SMILES notation for 7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]?
The canonical SMILES for 7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane] is Clc1ccc2c(c1)SC1(CCCC1)CN2.
What is the InChIKey of 7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]?
The InChIKey is BSXKLZOPMXXQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS/c13-9-3-4-10-11(7-9)15-12(8-14-10)5-1-2-6-12/h3-4,7,14H,1-2,5-6,8H2.
What are the key properties of 7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]?
7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane] has a molecular weight of 239.77 g/mol, XLogP of 4.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane] is sourced from PubChem (CID 115097844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).