6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine

C15H22N2S — CID 116999243

IUPAC6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESc1cc2c(cc1CCC1CCCNC1)NCCS2
InChIInChI=1S/C15H22N2S/c1-2-13(11-16-7-1)4-3-12-5-6-15-14(10-12)17-8-9-18-15/h5-6,10,13,16-17H,1-4,7-9,11H2
InChIKeyFEPKBWSJBAOHPO-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.14
Rot. Bonds3

About 6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine

6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 116999243) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID116999243
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESc1cc2c(cc1CCC1CCCNC1)NCCS2
InChIInChI=1S/C15H22N2S/c1-2-13(11-16-7-1)4-3-12-5-6-15-14(10-12)17-8-9-18-15/h5-6,10,13,16-17H,1-4,7-9,11H2
InChIKeyFEPKBWSJBAOHPO-UHFFFAOYSA-N
XLogP3.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-pyrrolidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116999039
3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propane-1-thiol
CID 116999259
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol
CID 116999268
6-(2-piperidin-3-ylethyl)-1H-benzimidazole
CID 116925639
4-(2-piperidin-3-ylethyl)pyridin-2-amine;dihydrochloride
CID 167995844
3-(2-thiophen-3-ylethyl)azepane
CID 104680659
1-[1-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116999282
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
methyl 4-(2-piperidin-3-ylethyl)benzoate
CID 126844861
N-[4-(2-piperidin-3-ylethyl)-2-pyridinyl]pyrazin-2-amine;hydrochloride
CID 71298941

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine (CID 116999243) is 6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine is c1cc2c(cc1CCC1CCCNC1)NCCS2.
What is the InChIKey of 6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is FEPKBWSJBAOHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-13(11-16-7-1)4-3-12-5-6-15-14(10-12)17-8-9-18-15/h5-6,10,13,16-17H,1-4,7-9,11H2.
What are the key properties of 6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine?
6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 262.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 116999243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).