2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide

C14H16N2O3S — CID 11208580

IUPAC2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide
SMILESO=C(CC1Sc2ccccc2N(CC2CC2)C1=O)NO
InChIInChI=1S/C14H16N2O3S/c17-13(15-19)7-12-14(18)16(8-9-5-6-9)10-3-1-2-4-11(10)20-12/h1-4,9,12,19H,5-8H2,(H,15,17)
InChIKeyWMVRMIAIBUYQAH-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.80
Rot. Bonds4

About 2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide

2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide (PubChem CID 11208580) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide
PubChem CID11208580
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide
SMILESO=C(CC1Sc2ccccc2N(CC2CC2)C1=O)NO
InChIInChI=1S/C14H16N2O3S/c17-13(15-19)7-12-14(18)16(8-9-5-6-9)10-3-1-2-4-11(10)20-12/h1-4,9,12,19H,5-8H2,(H,15,17)
InChIKeyWMVRMIAIBUYQAH-UHFFFAOYSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide (CID 11208580) is 2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide is O=C(CC1Sc2ccccc2N(CC2CC2)C1=O)NO.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide?
The InChIKey is WMVRMIAIBUYQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-13(15-19)7-12-14(18)16(8-9-5-6-9)10-3-1-2-4-11(10)20-12/h1-4,9,12,19H,5-8H2,(H,15,17).
What are the key properties of 2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide?
2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide has a molecular weight of 292.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-3-oxo-1,4-benzothiazin-2-yl]-N-hydroxyacetamide is sourced from PubChem (CID 11208580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).