(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone

C13H16N2O3S — CID 55120091

IUPAC(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone
SMILESNc1ccc2c(c1)N(C(=O)C1COCCO1)CCS2
InChIInChI=1S/C13H16N2O3S/c14-9-1-2-12-10(7-9)15(3-6-19-12)13(16)11-8-17-4-5-18-11/h1-2,7,11H,3-6,8,14H2
InChIKeyWLKNQJMIXDHXHC-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.12
Rot. Bonds1

About (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone

(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone (PubChem CID 55120091) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone
PubChem CID55120091
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone
SMILESNc1ccc2c(c1)N(C(=O)C1COCCO1)CCS2
InChIInChI=1S/C13H16N2O3S/c14-9-1-2-12-10(7-9)15(3-6-19-12)13(16)11-8-17-4-5-18-11/h1-2,7,11H,3-6,8,14H2
InChIKeyWLKNQJMIXDHXHC-UHFFFAOYSA-N
XLogP1.12
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone?
The IUPAC name of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone (CID 55120091) is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone?
The canonical SMILES for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone is Nc1ccc2c(c1)N(C(=O)C1COCCO1)CCS2.
What is the InChIKey of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone?
The InChIKey is WLKNQJMIXDHXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-9-1-2-12-10(7-9)15(3-6-19-12)13(16)11-8-17-4-5-18-11/h1-2,7,11H,3-6,8,14H2.
What are the key properties of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone?
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone has a molecular weight of 280.35 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 55120091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).