2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one

C14H18N2O3S2 — CID 110759488

IUPAC2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
SMILESCC1Sc2ccc(S(=O)(=O)N3CCCCC3)cc2NC1=O
InChIInChI=1S/C14H18N2O3S2/c1-10-14(17)15-12-9-11(5-6-13(12)20-10)21(18,19)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyQPADVMMQPHIDML-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.29
Rot. Bonds2

About 2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one

2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one (PubChem CID 110759488) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
PubChem CID110759488
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
SMILESCC1Sc2ccc(S(=O)(=O)N3CCCCC3)cc2NC1=O
InChIInChI=1S/C14H18N2O3S2/c1-10-14(17)15-12-9-11(5-6-13(12)20-10)21(18,19)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyQPADVMMQPHIDML-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 22550140
6-(4-benzylpiperidin-1-yl)sulfonyl-2-methyl-4H-1,4-benzothiazin-3-one
CID 22550164
1-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 20927391
N-(3-fluorophenyl)-1-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 20927381
N-[2-(cyclohexen-1-yl)ethyl]-1-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 92692642
1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]sulfonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 92505398
6-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 16602212
2-methyl-6-(2-methyl-3-oxo-3-piperidin-1-ylpropyl)sulfonyl-4H-1,4-benzothiazin-3-one
CID 20923241
1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 92723371
(2R)-2-methyl-6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one
CID 26865911
2-(azepane-1-carbonyl)-6-(4-ethylpiperazin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one
CID 53106058
(2R)-6-(azepane-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 7779318

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one (CID 110759488) is 2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one is CC1Sc2ccc(S(=O)(=O)N3CCCCC3)cc2NC1=O.
What is the InChIKey of 2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one?
The InChIKey is QPADVMMQPHIDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10-14(17)15-12-9-11(5-6-13(12)20-10)21(18,19)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of 2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one?
2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one has a molecular weight of 326.44 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 110759488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).