(2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide

C15H16N2O2S — CID 6307047

IUPAC(2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
SMILESO=C(/C=C1\Sc2ccccc2NC1=O)NC1CCCC1
InChIInChI=1S/C15H16N2O2S/c18-14(16-10-5-1-2-6-10)9-13-15(19)17-11-7-3-4-8-12(11)20-13/h3-4,7-10H,1-2,5-6H2,(H,16,18)(H,17,19)/b13-9-
InChIKeyVNFCZQUNIFZPIE-LCYFTJDESA-N
MW288.37 g/mol
LogP2.67
Rot. Bonds2

About (2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide

(2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide (PubChem CID 6307047) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
PubChem CID6307047
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
SMILESO=C(/C=C1\Sc2ccccc2NC1=O)NC1CCCC1
InChIInChI=1S/C15H16N2O2S/c18-14(16-10-5-1-2-6-10)9-13-15(19)17-11-7-3-4-8-12(11)20-13/h3-4,7-10H,1-2,5-6H2,(H,16,18)(H,17,19)/b13-9-
InChIKeyVNFCZQUNIFZPIE-LCYFTJDESA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide?
The IUPAC name of (2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide (CID 6307047) is (2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide?
The canonical SMILES for (2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide is O=C(/C=C1\Sc2ccccc2NC1=O)NC1CCCC1.
What is the InChIKey of (2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide?
The InChIKey is VNFCZQUNIFZPIE-LCYFTJDESA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14(16-10-5-1-2-6-10)9-13-15(19)17-11-7-3-4-8-12(11)20-13/h3-4,7-10H,1-2,5-6H2,(H,16,18)(H,17,19)/b13-9-.
What are the key properties of (2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide?
(2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide has a molecular weight of 288.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide is sourced from PubChem (CID 6307047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).