10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine

C20H25N3S — CID 3051462

IUPAC10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine
SMILESCC(CN1CCCCC1)CN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C20H25N3S/c1-16(14-22-12-5-2-6-13-22)15-23-17-8-3-4-9-18(17)24-19-10-7-11-21-20(19)23/h3-4,7-11,16H,2,5-6,12-15H2,1H3
InChIKeyOLRLRJCTSVUGMX-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.81
Rot. Bonds4

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

10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine (PubChem CID 3051462) has the molecular formula C20H25N3S and a molecular weight of 339.51 g/mol. Its IUPAC name is 10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine
PubChem CID3051462
Molecular FormulaC20H25N3S
Molecular Weight339.51 g/mol
Exact Mass339.18
IUPAC Name10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine
SMILESCC(CN1CCCCC1)CN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C20H25N3S/c1-16(14-22-12-5-2-6-13-22)15-23-17-8-3-4-9-18(17)24-19-10-7-11-21-20(19)23/h3-4,7-11,16H,2,5-6,12-15H2,1H3
InChIKeyOLRLRJCTSVUGMX-UHFFFAOYSA-N
XLogP4.81
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine?
The IUPAC name of 10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine (CID 3051462) is 10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine?
The canonical SMILES for 10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine is CC(CN1CCCCC1)CN1c2ccccc2Sc2cccnc21.
What is the InChIKey of 10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine?
The InChIKey is OLRLRJCTSVUGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3S/c1-16(14-22-12-5-2-6-13-22)15-23-17-8-3-4-9-18(17)24-19-10-7-11-21-20(19)23/h3-4,7-11,16H,2,5-6,12-15H2,1H3.
What are the key properties of 10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine?
10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine has a molecular weight of 339.51 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 3051462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).