N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide

C14H26N2O2S — CID 24705431

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide
SMILESCC(NS(=O)(=O)C1CCCNC1)C1CC2CCC1C2
InChIInChI=1S/C14H26N2O2S/c1-10(14-8-11-4-5-12(14)7-11)16-19(17,18)13-3-2-6-15-9-13/h10-16H,2-9H2,1H3
InChIKeyYUJVQCJSKCDOOX-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.48
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide (PubChem CID 24705431) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide
PubChem CID24705431
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide
SMILESCC(NS(=O)(=O)C1CCCNC1)C1CC2CCC1C2
InChIInChI=1S/C14H26N2O2S/c1-10(14-8-11-4-5-12(14)7-11)16-19(17,18)13-3-2-6-15-9-13/h10-16H,2-9H2,1H3
InChIKeyYUJVQCJSKCDOOX-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide (CID 24705431) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide is CC(NS(=O)(=O)C1CCCNC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide?
The InChIKey is YUJVQCJSKCDOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-10(14-8-11-4-5-12(14)7-11)16-19(17,18)13-3-2-6-15-9-13/h10-16H,2-9H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide has a molecular weight of 286.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide is sourced from PubChem (CID 24705431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).