spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine]

C11H15N3S — CID 91171957

IUPACspiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine]
SMILESc1ccc2c(c1)NC1(CCNCC1)NS2
InChIInChI=1S/C11H15N3S/c1-2-4-10-9(3-1)13-11(14-15-10)5-7-12-8-6-11/h1-4,12-14H,5-8H2
InChIKeyPQCKPGGQVCOGRT-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.79
Rot. Bonds

About spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine]

spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine] (PubChem CID 91171957) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine].

Molecular Properties

Compound Namespiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine]
PubChem CID91171957
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Namespiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine]
SMILESc1ccc2c(c1)NC1(CCNCC1)NS2
InChIInChI=1S/C11H15N3S/c1-2-4-10-9(3-1)13-11(14-15-10)5-7-12-8-6-11/h1-4,12-14H,5-8H2
InChIKeyPQCKPGGQVCOGRT-UHFFFAOYSA-N
XLogP1.79
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine] 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

spiro[piperidine-4,9'-thioxanthene]
CID 22464014
spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 68664926
spiro[3H-1,3-benzothiazole-2,1'-cycloheptane]
CID 691411
CID 7012356
CID 7012356
2,2-difluoro-3H-1,3-benzothiazole
CID 162547597
spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine
CID 163931629
4'-methylspiro[3H-1,3-benzothiazole-2,1'-cyclohexane]
CID 778034
4'-phenylspiro[3H-1,3-benzothiazole-2,1'-cyclohexane]
CID 14269660
ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
azane;2,3,4,5-tetrahydro-1H-3-benzazepine
CID 135204749
1,2,3,4,5,6,7,8-octahydro-3,6-benzodiazecine
CID 156519075

Frequently Asked Questions

What is the IUPAC name of spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine]?
The IUPAC name of spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine] (CID 91171957) is spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine].
What is the SMILES notation for spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine]?
The canonical SMILES for spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine] is c1ccc2c(c1)NC1(CCNCC1)NS2.
What is the InChIKey of spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine]?
The InChIKey is PQCKPGGQVCOGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-4-10-9(3-1)13-11(14-15-10)5-7-12-8-6-11/h1-4,12-14H,5-8H2.
What are the key properties of spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine]?
spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine] has a molecular weight of 221.33 g/mol, XLogP of 1.79, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4-dihydro-1,2,4-benzothiadiazine-3,4'-piperidine] is sourced from PubChem (CID 91171957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).