N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide

C12H23N3O2S — CID 61231070

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(C1CC2CCC(C1)N2)S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H23N3O2S/c1-14(18(16,17)15-6-2-3-7-15)12-8-10-4-5-11(9-12)13-10/h10-13H,2-9H2,1H3
InChIKeyIPDDEMDAHZAUPD-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.54
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 61231070) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID61231070
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(C1CC2CCC(C1)N2)S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H23N3O2S/c1-14(18(16,17)15-6-2-3-7-15)12-8-10-4-5-11(9-12)13-10/h10-13H,2-9H2,1H3
InChIKeyIPDDEMDAHZAUPD-UHFFFAOYSA-N
XLogP0.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide (CID 61231070) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide is CN(C1CC2CCC(C1)N2)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is IPDDEMDAHZAUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-14(18(16,17)15-6-2-3-7-15)12-8-10-4-5-11(9-12)13-10/h10-13H,2-9H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 61231070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).