7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one

C15H17NO3S — CID 84615814

IUPAC7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one
SMILESCC(=O)c1ccc2c(c1)S(=O)CC(=O)N2C1CCCC1
InChIInChI=1S/C15H17NO3S/c1-10(17)11-6-7-13-14(8-11)20(19)9-15(18)16(13)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3
InChIKeyNUNHCADTMKIHEU-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.29
Rot. Bonds2

About 7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one

7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one (PubChem CID 84615814) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one
PubChem CID84615814
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one
SMILESCC(=O)c1ccc2c(c1)S(=O)CC(=O)N2C1CCCC1
InChIInChI=1S/C15H17NO3S/c1-10(17)11-6-7-13-14(8-11)20(19)9-15(18)16(13)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3
InChIKeyNUNHCADTMKIHEU-UHFFFAOYSA-N
XLogP2.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-1-piperidin-4-yl-3H-indol-2-one
CID 84758259
1-(1-cyclopentylindol-5-yl)ethanone
CID 115115492
7-acetyl-2-methyl-1-oxo-4-prop-2-enyl-1λ4,4-benzothiazin-3-one
CID 84615776
1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone
CID 121245244
1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170198
1-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-methylsulfonylphenyl]ethanone
CID 75476504
1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one
CID 105494352
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-bromophenyl]ethanone
CID 102726722
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
CID 55130715
N-[4-[(6-acetylnaphthalen-2-yl)amino]cyclohexyl]acetamide
CID 118980727
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one?
The IUPAC name of 7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one (CID 84615814) is 7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one.
What is the SMILES notation for 7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one?
The canonical SMILES for 7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one is CC(=O)c1ccc2c(c1)S(=O)CC(=O)N2C1CCCC1.
What is the InChIKey of 7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one?
The InChIKey is NUNHCADTMKIHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10(17)11-6-7-13-14(8-11)20(19)9-15(18)16(13)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3.
What are the key properties of 7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one?
7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one has a molecular weight of 291.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4-cyclopentyl-1-oxo-1λ4,4-benzothiazin-3-one is sourced from PubChem (CID 84615814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).