9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane

C15H29N3O2S — CID 79165214

IUPAC9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1C2CCC1CN(S(=O)(=O)CCC1CCCCN1)CC2
InChIInChI=1S/C15H29N3O2S/c1-17-14-5-6-15(17)12-18(10-7-14)21(19,20)11-8-13-4-2-3-9-16-13/h13-16H,2-12H2,1H3
InChIKeyGHYUXKHGFDSANU-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.02
Rot. Bonds4

About 9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane

9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 79165214) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID79165214
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1C2CCC1CN(S(=O)(=O)CCC1CCCCN1)CC2
InChIInChI=1S/C15H29N3O2S/c1-17-14-5-6-15(17)12-18(10-7-14)21(19,20)11-8-13-4-2-3-9-16-13/h13-16H,2-12H2,1H3
InChIKeyGHYUXKHGFDSANU-UHFFFAOYSA-N
XLogP1.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane 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 9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane (CID 79165214) is 9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane is CN1C2CCC1CN(S(=O)(=O)CCC1CCCCN1)CC2.
What is the InChIKey of 9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is GHYUXKHGFDSANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-17-14-5-6-15(17)12-18(10-7-14)21(19,20)11-8-13-4-2-3-9-16-13/h13-16H,2-12H2,1H3.
What are the key properties of 9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane?
9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 315.48 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2-piperidin-2-ylethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 79165214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).