6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one

C14H18N2O3S2 — CID 3374515

IUPAC6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C14H18N2O3S2/c1-10-4-6-16(7-5-10)21(18,19)11-2-3-13-12(8-11)15-14(17)9-20-13/h2-3,8,10H,4-7,9H2,1H3,(H,15,17)
InChIKeyXXXJEOSTKCMZKQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.15
Rot. Bonds2

About 6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one

6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one (PubChem CID 3374515) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one
PubChem CID3374515
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C14H18N2O3S2/c1-10-4-6-16(7-5-10)21(18,19)11-2-3-13-12(8-11)15-14(17)9-20-13/h2-3,8,10H,4-7,9H2,1H3,(H,15,17)
InChIKeyXXXJEOSTKCMZKQ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one (CID 3374515) is 6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one is CC1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one?
The InChIKey is XXXJEOSTKCMZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10-4-6-16(7-5-10)21(18,19)11-2-3-13-12(8-11)15-14(17)9-20-13/h2-3,8,10H,4-7,9H2,1H3,(H,15,17).
What are the key properties of 6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one?
6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one has a molecular weight of 326.44 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 3374515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).