1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol

C13H16N2O3S — CID 80701942

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C13H16N2O3S/c1-13(16)6-8-15(9-7-13)12-10-4-2-3-5-11(10)19(17,18)14-12/h2-5,16H,6-9H2,1H3
InChIKeyPQDLPZCNSFKZPQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.98
Rot. Bonds

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol (PubChem CID 80701942) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol
PubChem CID80701942
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C13H16N2O3S/c1-13(16)6-8-15(9-7-13)12-10-4-2-3-5-11(10)19(17,18)14-12/h2-5,16H,6-9H2,1H3
InChIKeyPQDLPZCNSFKZPQ-UHFFFAOYSA-N
XLogP0.98
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol (CID 80701942) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol is CC1(O)CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol?
The InChIKey is PQDLPZCNSFKZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-13(16)6-8-15(9-7-13)12-10-4-2-3-5-11(10)19(17,18)14-12/h2-5,16H,6-9H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol has a molecular weight of 280.35 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 80701942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).