N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide

C14H27N3O2S — CID 60865459

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NC1CN2CCC1CC2
InChIInChI=1S/C14H27N3O2S/c18-20(19,10-6-13-3-1-2-7-15-13)16-14-11-17-8-4-12(14)5-9-17/h12-16H,1-11H2
InChIKeyVROCNNQQCXSVST-UHFFFAOYSA-N
MW301.46 g/mol
LogP0.53
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide (PubChem CID 60865459) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide
PubChem CID60865459
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NC1CN2CCC1CC2
InChIInChI=1S/C14H27N3O2S/c18-20(19,10-6-13-3-1-2-7-15-13)16-14-11-17-8-4-12(14)5-9-17/h12-16H,1-11H2
InChIKeyVROCNNQQCXSVST-UHFFFAOYSA-N
XLogP0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylcyclohexyl)-2-piperidin-2-ylethanesulfonamide
CID 61468215
2-piperidin-2-yl-N-pyrrolidin-3-ylethanesulfonamide
CID 115048876
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide
CID 63666165
(2R)-2-(2-propan-2-ylsulfonylethyl)piperidine
CID 28708555
N-(cyclohexylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 60863668
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
CID 60890880
(4aR,8aR)-1-(2-piperidin-2-ylethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726522
1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine
CID 114537116
4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine
CID 61421410
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
N-[2-(ethylsulfamoyl)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 106339620

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide (CID 60865459) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide is O=S(=O)(CCC1CCCCN1)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide?
The InChIKey is VROCNNQQCXSVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c18-20(19,10-6-13-3-1-2-7-15-13)16-14-11-17-8-4-12(14)5-9-17/h12-16H,1-11H2.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide has a molecular weight of 301.46 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 60865459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).