N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide

C13H25N3O2S — CID 65471678

IUPACN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide
SMILESCN1C2CCCC1CC(NS(=O)(=O)C1CCNC1)C2
InChIInChI=1S/C13H25N3O2S/c1-16-11-3-2-4-12(16)8-10(7-11)15-19(17,18)13-5-6-14-9-13/h10-15H,2-9H2,1H3
InChIKeyCVLGBFIZZQGZGY-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.28
Rot. Bonds3

About N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide (PubChem CID 65471678) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide
PubChem CID65471678
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide
SMILESCN1C2CCCC1CC(NS(=O)(=O)C1CCNC1)C2
InChIInChI=1S/C13H25N3O2S/c1-16-11-3-2-4-12(16)8-10(7-11)15-19(17,18)13-5-6-14-9-13/h10-15H,2-9H2,1H3
InChIKeyCVLGBFIZZQGZGY-UHFFFAOYSA-N
XLogP0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-3-yl)pyrrolidine-3-sulfonamide
CID 65418986
N-(oxolan-3-yl)pyrrolidine-3-sulfonamide
CID 80714879
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-carboxamide
CID 65470856
1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide
CID 65472618
(3R)-N-ethylpyrrolidine-3-sulfonamide
CID 96995954
N-(3-ethylsulfanylcyclopentyl)piperidine-3-sulfonamide
CID 114123744
N-piperidin-4-ylcyclopentanesulfonamide
CID 115752108
9-methyl-3-pyrrolidin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 79170212
1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide
CID 79686071
N-(1-methylcyclopentyl)pyrrolidine-3-sulfonamide
CID 65416174
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide
CID 65471104

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide (CID 65471678) is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide is CN1C2CCCC1CC(NS(=O)(=O)C1CCNC1)C2.
What is the InChIKey of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide?
The InChIKey is CVLGBFIZZQGZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-16-11-3-2-4-12(16)8-10(7-11)15-19(17,18)13-5-6-14-9-13/h10-15H,2-9H2,1H3.
What are the key properties of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide?
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide has a molecular weight of 287.43 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65471678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).