2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one

C14H18N2OS — CID 81435245

IUPAC2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one
SMILESCC1CCC(n2sc3ccccc3c2=O)C(C)N1
InChIInChI=1S/C14H18N2OS/c1-9-7-8-12(10(2)15-9)16-14(17)11-5-3-4-6-13(11)18-16/h3-6,9-10,12,15H,7-8H2,1-2H3
InChIKeyVIUCETSXNSUIFB-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.76
Rot. Bonds1

About 2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one

2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one (PubChem CID 81435245) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one
PubChem CID81435245
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one
SMILESCC1CCC(n2sc3ccccc3c2=O)C(C)N1
InChIInChI=1S/C14H18N2OS/c1-9-7-8-12(10(2)15-9)16-14(17)11-5-3-4-6-13(11)18-16/h3-6,9-10,12,15H,7-8H2,1-2H3
InChIKeyVIUCETSXNSUIFB-UHFFFAOYSA-N
XLogP2.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one (CID 81435245) is 2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one is CC1CCC(n2sc3ccccc3c2=O)C(C)N1.
What is the InChIKey of 2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one?
The InChIKey is VIUCETSXNSUIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-7-8-12(10(2)15-9)16-14(17)11-5-3-4-6-13(11)18-16/h3-6,9-10,12,15H,7-8H2,1-2H3.
What are the key properties of 2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one?
2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one has a molecular weight of 262.38 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-3-yl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 81435245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).