N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine

C15H14N2OS — CID 11119154

IUPACN-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine
SMILESCc1ccc(C2Sc3ccccc3N=C2NO)cc1
InChIInChI=1S/C15H14N2OS/c1-10-6-8-11(9-7-10)14-15(17-18)16-12-4-2-3-5-13(12)19-14/h2-9,14,18H,1H3,(H,16,17)
InChIKeyKXJBAWUDCAOHIG-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.85
Rot. Bonds1

About N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine

N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine (PubChem CID 11119154) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine
PubChem CID11119154
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine
SMILESCc1ccc(C2Sc3ccccc3N=C2NO)cc1
InChIInChI=1S/C15H14N2OS/c1-10-6-8-11(9-7-10)14-15(17-18)16-12-4-2-3-5-13(12)19-14/h2-9,14,18H,1H3,(H,16,17)
InChIKeyKXJBAWUDCAOHIG-UHFFFAOYSA-N
XLogP3.85
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine?
The IUPAC name of N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine (CID 11119154) is N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine.
What is the SMILES notation for N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine?
The canonical SMILES for N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine is Cc1ccc(C2Sc3ccccc3N=C2NO)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine?
The InChIKey is KXJBAWUDCAOHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-6-8-11(9-7-10)14-15(17-18)16-12-4-2-3-5-13(12)19-14/h2-9,14,18H,1H3,(H,16,17).
What are the key properties of N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine?
N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine has a molecular weight of 270.36 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine is sourced from PubChem (CID 11119154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).