10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine

C18H21N3S — CID 3051463

IUPAC10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine
SMILESCN1CCCC(CN2c3ccccc3Sc3cccnc32)C1
InChIInChI=1S/C18H21N3S/c1-20-11-5-6-14(12-20)13-21-15-7-2-3-8-16(15)22-17-9-4-10-19-18(17)21/h2-4,7-10,14H,5-6,11-13H2,1H3
InChIKeyRMNGITPGXJLUBV-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.03
Rot. Bonds2

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

10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine (PubChem CID 3051463) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine
PubChem CID3051463
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine
SMILESCN1CCCC(CN2c3ccccc3Sc3cccnc32)C1
InChIInChI=1S/C18H21N3S/c1-20-11-5-6-14(12-20)13-21-15-7-2-3-8-16(15)22-17-9-4-10-19-18(17)21/h2-4,7-10,14H,5-6,11-13H2,1H3
InChIKeyRMNGITPGXJLUBV-UHFFFAOYSA-N
XLogP4.03
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine?
The IUPAC name of 10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine (CID 3051463) is 10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine?
The canonical SMILES for 10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine is CN1CCCC(CN2c3ccccc3Sc3cccnc32)C1.
What is the InChIKey of 10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine?
The InChIKey is RMNGITPGXJLUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-20-11-5-6-14(12-20)13-21-15-7-2-3-8-16(15)22-17-9-4-10-19-18(17)21/h2-4,7-10,14H,5-6,11-13H2,1H3.
What are the key properties of 10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine?
10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine has a molecular weight of 311.45 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 3051463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).