(1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one

C15H25NO3S — CID 7155206

IUPAC(1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one
SMILESC[C@@H]1[C@H]2C[C@H]([C@H](S(=O)(=O)N3CCCCC3)C2=O)C1(C)C
InChIInChI=1S/C15H25NO3S/c1-10-11-9-12(15(10,2)3)14(13(11)17)20(18,19)16-7-5-4-6-8-16/h10-12,14H,4-9H2,1-3H3/t10-,11-,12-,14+/m1/s1
InChIKeyBJEIKPPCIVKMEN-BYNQJWBRSA-N
MW299.44 g/mol
LogP2.05
Rot. Bonds2

About (1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one

(1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one (PubChem CID 7155206) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is (1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one
PubChem CID7155206
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name(1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one
SMILESC[C@@H]1[C@H]2C[C@H]([C@H](S(=O)(=O)N3CCCCC3)C2=O)C1(C)C
InChIInChI=1S/C15H25NO3S/c1-10-11-9-12(15(10,2)3)14(13(11)17)20(18,19)16-7-5-4-6-8-16/h10-12,14H,4-9H2,1-3H3/t10-,11-,12-,14+/m1/s1
InChIKeyBJEIKPPCIVKMEN-BYNQJWBRSA-N
XLogP2.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one (CID 7155206) is (1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one is C[C@@H]1[C@H]2C[C@H]([C@H](S(=O)(=O)N3CCCCC3)C2=O)C1(C)C.
What is the InChIKey of (1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one?
The InChIKey is BJEIKPPCIVKMEN-BYNQJWBRSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-10-11-9-12(15(10,2)3)14(13(11)17)20(18,19)16-7-5-4-6-8-16/h10-12,14H,4-9H2,1-3H3/t10-,11-,12-,14+/m1/s1.
What are the key properties of (1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one?
(1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one has a molecular weight of 299.44 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 7155206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).