2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide

C13H16N2OS2 — CID 8004897

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC1=Nc2ccccc2CS1
InChIInChI=1S/C13H16N2OS2/c1-9(2)14-12(16)8-18-13-15-11-6-4-3-5-10(11)7-17-13/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKeyGYMRBBJJGUHXBP-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.18
Rot. Bonds3

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide (PubChem CID 8004897) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide
PubChem CID8004897
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC1=Nc2ccccc2CS1
InChIInChI=1S/C13H16N2OS2/c1-9(2)14-12(16)8-18-13-15-11-6-4-3-5-10(11)7-17-13/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKeyGYMRBBJJGUHXBP-UHFFFAOYSA-N
XLogP3.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-pentan-2-yl]acetamide
CID 8004903
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46626848
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 8004950
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9106149
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide
CID 7613666
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 51087838
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(1H-pyrrol-2-yl)ethanone
CID 8004922
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 29240074
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 46670372
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 8004844
2-(2-methyl-3-methylsulfonylpropyl)sulfanyl-4H-3,1-benzothiazine
CID 75468746
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2R)-butan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7633920

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide (CID 8004897) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide is CC(C)NC(=O)CSC1=Nc2ccccc2CS1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide?
The InChIKey is GYMRBBJJGUHXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-9(2)14-12(16)8-18-13-15-11-6-4-3-5-10(11)7-17-13/h3-6,9H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide has a molecular weight of 280.42 g/mol, XLogP of 3.18, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 8004897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).