10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine

C22H29N3S — CID 127027914

IUPAC10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine
SMILESc1ccc2c(c1)Sc1cccnc1N2CCCCCCN1CCCCC1
InChIInChI=1S/C22H29N3S/c1(6-15-24-16-7-3-8-17-24)2-9-18-25-19-11-4-5-12-20(19)26-21-13-10-14-23-22(21)25/h4-5,10-14H,1-3,6-9,15-18H2
InChIKeyZOSPTFWMMQSWDG-UHFFFAOYSA-N
MW367.56 g/mol
LogP5.73
Rot. Bonds7

About 10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine

10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine (PubChem CID 127027914) has the molecular formula C22H29N3S and a molecular weight of 367.56 g/mol. Its IUPAC name is 10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine
PubChem CID127027914
Molecular FormulaC22H29N3S
Molecular Weight367.56 g/mol
Exact Mass367.21
IUPAC Name10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine
SMILESc1ccc2c(c1)Sc1cccnc1N2CCCCCCN1CCCCC1
InChIInChI=1S/C22H29N3S/c1(6-15-24-16-7-3-8-17-24)2-9-18-25-19-11-4-5-12-20(19)26-21-13-10-14-23-22(21)25/h4-5,10-14H,1-3,6-9,15-18H2
InChIKeyZOSPTFWMMQSWDG-UHFFFAOYSA-N
XLogP5.73
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.56
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine?
The IUPAC name of 10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine (CID 127027914) is 10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine?
The canonical SMILES for 10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine is c1ccc2c(c1)Sc1cccnc1N2CCCCCCN1CCCCC1.
What is the InChIKey of 10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine?
The InChIKey is ZOSPTFWMMQSWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3S/c1(6-15-24-16-7-3-8-17-24)2-9-18-25-19-11-4-5-12-20(19)26-21-13-10-14-23-22(21)25/h4-5,10-14H,1-3,6-9,15-18H2.
What are the key properties of 10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine?
10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine has a molecular weight of 367.56 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-piperidin-1-ylhexyl)pyrido[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 127027914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).