N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide

C13H26N2O3S — CID 55173539

IUPACN-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide
SMILESCN(CCC1CCCCN1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H26N2O3S/c1-15(9-7-12-5-2-3-8-14-12)19(16,17)11-13-6-4-10-18-13/h12-14H,2-11H2,1H3
InChIKeyYEZGMLUCWPERAC-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.96
Rot. Bonds6

About N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide

N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide (PubChem CID 55173539) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide
PubChem CID55173539
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide
SMILESCN(CCC1CCCCN1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H26N2O3S/c1-15(9-7-12-5-2-3-8-14-12)19(16,17)11-13-6-4-10-18-13/h12-14H,2-11H2,1H3
InChIKeyYEZGMLUCWPERAC-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide?
The IUPAC name of N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide (CID 55173539) is N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide?
The canonical SMILES for N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide is CN(CCC1CCCCN1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide?
The InChIKey is YEZGMLUCWPERAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-15(9-7-12-5-2-3-8-14-12)19(16,17)11-13-6-4-10-18-13/h12-14H,2-11H2,1H3.
What are the key properties of N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide?
N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 55173539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).