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

C14H26N2O2S — CID 61309920

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC2CC3CCC2C3)CC1
InChIInChI=1S/C14H26N2O2S/c1-2-19(17,18)16-7-5-13(6-8-16)15-14-10-11-3-4-12(14)9-11/h11-15H,2-10H2,1H3
InChIKeyBXCCDWQBRKKULZ-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.58
Rot. Bonds4

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

N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine (PubChem CID 61309920) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine
PubChem CID61309920
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC2CC3CCC2C3)CC1
InChIInChI=1S/C14H26N2O2S/c1-2-19(17,18)16-7-5-13(6-8-16)15-14-10-11-3-4-12(14)9-11/h11-15H,2-10H2,1H3
InChIKeyBXCCDWQBRKKULZ-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.58
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-ethylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine (CID 61309920) is N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine is CCS(=O)(=O)N1CCC(NC2CC3CCC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine?
The InChIKey is BXCCDWQBRKKULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-2-19(17,18)16-7-5-13(6-8-16)15-14-10-11-3-4-12(14)9-11/h11-15H,2-10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine?
N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidin-4-amine has a molecular weight of 286.44 g/mol, XLogP of 1.58, 4 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-ethylsulfonylpiperidin-4-amine is sourced from PubChem (CID 61309920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).