1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine

C14H26N2O2S — CID 2902443

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C14H26N2O2S/c1-2-9-19(17,18)16-7-5-15(6-8-16)14-11-12-3-4-13(14)10-12/h12-14H,2-11H2,1H3
InChIKeyDCZUBCJPWUAHBS-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.53
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine (PubChem CID 2902443) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine
PubChem CID2902443
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C14H26N2O2S/c1-2-9-19(17,18)16-7-5-15(6-8-16)14-11-12-3-4-13(14)10-12/h12-14H,2-11H2,1H3
InChIKeyDCZUBCJPWUAHBS-UHFFFAOYSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine (CID 2902443) is 1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine?
The InChIKey is DCZUBCJPWUAHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-2-9-19(17,18)16-7-5-15(6-8-16)14-11-12-3-4-13(14)10-12/h12-14H,2-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine has a molecular weight of 286.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 2902443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).