2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide

C11H22N2O3S — CID 3218771

IUPAC2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCC(C)(C)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)10(14)12-9-5-7-13(8-6-9)17(4,15)16/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyWMHVVKXUVVLZFW-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.57
Rot. Bonds2

About 2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide

2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide (PubChem CID 3218771) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide
PubChem CID3218771
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCC(C)(C)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)10(14)12-9-5-7-13(8-6-9)17(4,15)16/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyWMHVVKXUVVLZFW-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide (CID 3218771) is 2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide is CC(C)(C)C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is WMHVVKXUVVLZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,3)10(14)12-9-5-7-13(8-6-9)17(4,15)16/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 262.37 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 3218771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).