N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide

C13H26N2O3S — CID 71864595

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide
SMILESCC1CC(C)CN(C(=O)CN(C)S(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H26N2O3S/c1-10(2)19(17,18)14(5)9-13(16)15-7-11(3)6-12(4)8-15/h10-12H,6-9H2,1-5H3
InChIKeyILODJNWDJFSXOG-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.16
Rot. Bonds4

About N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide

N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide (PubChem CID 71864595) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide
PubChem CID71864595
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide
SMILESCC1CC(C)CN(C(=O)CN(C)S(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H26N2O3S/c1-10(2)19(17,18)14(5)9-13(16)15-7-11(3)6-12(4)8-15/h10-12H,6-9H2,1-5H3
InChIKeyILODJNWDJFSXOG-UHFFFAOYSA-N
XLogP1.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide (CID 71864595) is N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide is CC1CC(C)CN(C(=O)CN(C)S(=O)(=O)C(C)C)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide?
The InChIKey is ILODJNWDJFSXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-10(2)19(17,18)14(5)9-13(16)15-7-11(3)6-12(4)8-15/h10-12H,6-9H2,1-5H3.
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide?
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 71864595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).