N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide

C15H26N2O3S — CID 50946743

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CC3CCC2C3)CC1
InChIInChI=1S/C15H26N2O3S/c1-2-21(19,20)17-7-5-12(6-8-17)15(18)16-14-10-11-3-4-13(14)9-11/h11-14H,2-10H2,1H3,(H,16,18)
InChIKeyQGEWJFXRHVWEEL-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.35
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 50946743) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID50946743
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CC3CCC2C3)CC1
InChIInChI=1S/C15H26N2O3S/c1-2-21(19,20)17-7-5-12(6-8-17)15(18)16-14-10-11-3-4-13(14)9-11/h11-14H,2-10H2,1H3,(H,16,18)
InChIKeyQGEWJFXRHVWEEL-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.35
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-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 50946743) is N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NC2CC3CCC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is QGEWJFXRHVWEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-2-21(19,20)17-7-5-12(6-8-17)15(18)16-14-10-11-3-4-13(14)9-11/h11-14H,2-10H2,1H3,(H,16,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 1.35, 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-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 50946743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).