6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one

C13H17N3OS — CID 115118189

IUPAC6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one
SMILESNc1ccc2c(c1)N(C1CCCNC1)C(=O)CS2
InChIInChI=1S/C13H17N3OS/c14-9-3-4-12-11(6-9)16(13(17)8-18-12)10-2-1-5-15-7-10/h3-4,6,10,15H,1-2,5,7-8,14H2
InChIKeyIXWMETXCRJGDKM-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.46
Rot. Bonds1

About 6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one

6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one (PubChem CID 115118189) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one
PubChem CID115118189
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one
SMILESNc1ccc2c(c1)N(C1CCCNC1)C(=O)CS2
InChIInChI=1S/C13H17N3OS/c14-9-3-4-12-11(6-9)16(13(17)8-18-12)10-2-1-5-15-7-10/h3-4,6,10,15H,1-2,5,7-8,14H2
InChIKeyIXWMETXCRJGDKM-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one?
The IUPAC name of 6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one (CID 115118189) is 6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one?
The canonical SMILES for 6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one is Nc1ccc2c(c1)N(C1CCCNC1)C(=O)CS2.
What is the InChIKey of 6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one?
The InChIKey is IXWMETXCRJGDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c14-9-3-4-12-11(6-9)16(13(17)8-18-12)10-2-1-5-15-7-10/h3-4,6,10,15H,1-2,5,7-8,14H2.
What are the key properties of 6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one?
6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one has a molecular weight of 263.37 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one is sourced from PubChem (CID 115118189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).