2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide

C15H20N2OS2 — CID 8004903

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CSC1=Nc2ccccc2CS1
InChIInChI=1S/C15H20N2OS2/c1-3-6-11(2)16-14(18)10-20-15-17-13-8-5-4-7-12(13)9-19-15/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyIHYWZONNHARLGR-LLVKDONJSA-N
MW308.47 g/mol
LogP3.96
Rot. Bonds5

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 8004903) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide
PubChem CID8004903
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CSC1=Nc2ccccc2CS1
InChIInChI=1S/C15H20N2OS2/c1-3-6-11(2)16-14(18)10-20-15-17-13-8-5-4-7-12(13)9-19-15/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyIHYWZONNHARLGR-LLVKDONJSA-N
XLogP3.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide
CID 8004897
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
CID 7613653
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46626848
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(1H-pyrrol-2-yl)ethanone
CID 8004922
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-butan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7633920
2-(2-methyl-3-methylsulfonylpropyl)sulfanyl-4H-3,1-benzothiazine
CID 75468746
N-[(2R)-pentan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2434105
2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 2954459
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 16570754
N-[(2S)-pentan-2-yl]-3,3-diphenylpropanamide
CID 2268559
2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7500822
(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-phenylpropanamide
CID 8004927

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide (CID 8004903) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)CSC1=Nc2ccccc2CS1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is IHYWZONNHARLGR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-3-6-11(2)16-14(18)10-20-15-17-13-8-5-4-7-12(13)9-19-15/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,18)/t11-/m1/s1.
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 308.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 8004903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).