N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide

C13H26N2O2S — CID 10107424

IUPACN-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1(CN)C2CCCC1CCC2
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)15-9-8-13(10-14)11-4-2-5-12(13)7-3-6-11/h11-12,15H,2-10,14H2,1H3
InChIKeyLHGHLVIXNGYNQZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.47
Rot. Bonds5

About N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide

N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide (PubChem CID 10107424) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide
PubChem CID10107424
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1(CN)C2CCCC1CCC2
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)15-9-8-13(10-14)11-4-2-5-12(13)7-3-6-11/h11-12,15H,2-10,14H2,1H3
InChIKeyLHGHLVIXNGYNQZ-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide (CID 10107424) is N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1(CN)C2CCCC1CCC2.
What is the InChIKey of N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide?
The InChIKey is LHGHLVIXNGYNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-18(16,17)15-9-8-13(10-14)11-4-2-5-12(13)7-3-6-11/h11-12,15H,2-10,14H2,1H3.
What are the key properties of N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide?
N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[9-(aminomethyl)-9-bicyclo[3.3.1]nonanyl]ethyl]methanesulfonamide is sourced from PubChem (CID 10107424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).