6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one

C14H16N2O2S — CID 677722

IUPAC6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(C(=O)N3CCCCC3)cc2N1
InChIInChI=1S/C14H16N2O2S/c17-13-9-19-12-5-4-10(8-11(12)15-13)14(18)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,17)
InChIKeyBAHRAIDGRVCZJN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.36
Rot. Bonds1

About 6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one

6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one (PubChem CID 677722) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one
PubChem CID677722
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(C(=O)N3CCCCC3)cc2N1
InChIInChI=1S/C14H16N2O2S/c17-13-9-19-12-5-4-10(8-11(12)15-13)14(18)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,17)
InChIKeyBAHRAIDGRVCZJN-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one (CID 677722) is 6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one is O=C1CSc2ccc(C(=O)N3CCCCC3)cc2N1.
What is the InChIKey of 6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one?
The InChIKey is BAHRAIDGRVCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13-9-19-12-5-4-10(8-11(12)15-13)14(18)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,17).
What are the key properties of 6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one?
6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one has a molecular weight of 276.36 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 677722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).