N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide

C14H18N2O3S — CID 58928204

IUPACN-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide
SMILESCCCCN1C(=O)C(CN(O)C=O)Sc2ccccc21
InChIInChI=1S/C14H18N2O3S/c1-2-3-8-16-11-6-4-5-7-12(11)20-13(14(16)18)9-15(19)10-17/h4-7,10,13,19H,2-3,8-9H2,1H3
InChIKeyBSDQTSBQFGFFCC-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.14
Rot. Bonds6

About N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide

N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide (PubChem CID 58928204) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide
PubChem CID58928204
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide
SMILESCCCCN1C(=O)C(CN(O)C=O)Sc2ccccc21
InChIInChI=1S/C14H18N2O3S/c1-2-3-8-16-11-6-4-5-7-12(11)20-13(14(16)18)9-15(19)10-17/h4-7,10,13,19H,2-3,8-9H2,1H3
InChIKeyBSDQTSBQFGFFCC-UHFFFAOYSA-N
XLogP2.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide?
The IUPAC name of N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide (CID 58928204) is N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide?
The canonical SMILES for N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide is CCCCN1C(=O)C(CN(O)C=O)Sc2ccccc21.
What is the InChIKey of N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide?
The InChIKey is BSDQTSBQFGFFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-3-8-16-11-6-4-5-7-12(11)20-13(14(16)18)9-15(19)10-17/h4-7,10,13,19H,2-3,8-9H2,1H3.
What are the key properties of N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide?
N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide has a molecular weight of 294.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butyl-3-oxo-1,4-benzothiazin-2-yl)methyl]-N-hydroxyformamide is sourced from PubChem (CID 58928204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).