N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine

C15H28N2O2S — CID 61309553

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2CC3CCC2C3)CC1
InChIInChI=1S/C15H28N2O2S/c1-2-9-20(18,19)17-7-5-14(6-8-17)16-15-11-12-3-4-13(15)10-12/h12-16H,2-11H2,1H3
InChIKeyIKSSJEYUGPAMAS-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.97
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine

N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine (PubChem CID 61309553) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine
PubChem CID61309553
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2CC3CCC2C3)CC1
InChIInChI=1S/C15H28N2O2S/c1-2-9-20(18,19)17-7-5-14(6-8-17)16-15-11-12-3-4-13(15)10-12/h12-16H,2-11H2,1H3
InChIKeyIKSSJEYUGPAMAS-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine (CID 61309553) is N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NC2CC3CCC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine?
The InChIKey is IKSSJEYUGPAMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-2-9-20(18,19)17-7-5-14(6-8-17)16-15-11-12-3-4-13(15)10-12/h12-16H,2-11H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine?
N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine has a molecular weight of 300.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 61309553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).