N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide

C13H26N2O3S — CID 55225684

IUPACN-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)CC1CCCCN1
InChIInChI=1S/C13H26N2O3S/c1-15(10-12-5-8-18-9-6-12)19(16,17)11-13-4-2-3-7-14-13/h12-14H,2-11H2,1H3
InChIKeySCHYGYZRYPCKJF-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.82
Rot. Bonds5

About N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide

N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 55225684) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID55225684
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)CC1CCCCN1
InChIInChI=1S/C13H26N2O3S/c1-15(10-12-5-8-18-9-6-12)19(16,17)11-13-4-2-3-7-14-13/h12-14H,2-11H2,1H3
InChIKeySCHYGYZRYPCKJF-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide (CID 55225684) is N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide is CN(CC1CCOCC1)S(=O)(=O)CC1CCCCN1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is SCHYGYZRYPCKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-15(10-12-5-8-18-9-6-12)19(16,17)11-13-4-2-3-7-14-13/h12-14H,2-11H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide?
N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 55225684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).