N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide

C11H22N2O3S — CID 75469233

IUPACN-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCC2OCCCC2C1
InChIInChI=1S/C11H22N2O3S/c1-17(14,15)12-5-7-13-6-4-11-10(9-13)3-2-8-16-11/h10-12H,2-9H2,1H3
InChIKeyOJIUFYQIVARVHC-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.04
Rot. Bonds4

About N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide

N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide (PubChem CID 75469233) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide
PubChem CID75469233
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCC2OCCCC2C1
InChIInChI=1S/C11H22N2O3S/c1-17(14,15)12-5-7-13-6-4-11-10(9-13)3-2-8-16-11/h10-12H,2-9H2,1H3
InChIKeyOJIUFYQIVARVHC-UHFFFAOYSA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide (CID 75469233) is N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CCC2OCCCC2C1.
What is the InChIKey of N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide?
The InChIKey is OJIUFYQIVARVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(14,15)12-5-7-13-6-4-11-10(9-13)3-2-8-16-11/h10-12H,2-9H2,1H3.
What are the key properties of N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide?
N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 75469233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).