2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide

C11H22N2O3S — CID 47908938

IUPAC2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide
SMILESCC(C)(C)C(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)10(14)12-9-6-5-7-13(8-9)17(4,15)16/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyBOOCHWPECJLENA-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.57
Rot. Bonds2

About 2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide

2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide (PubChem CID 47908938) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide
PubChem CID47908938
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide
SMILESCC(C)(C)C(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)10(14)12-9-6-5-7-13(8-9)17(4,15)16/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyBOOCHWPECJLENA-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-3-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

Related Compounds

2-[cyclohexyl(methylsulfonyl)amino]-N-ethylacetamide
CID 1815811
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide
CID 1815815
N-cyclopentyl-2-[4-(methylsulfonyl)-1-piperazinyl]acetamide
CID 17376168
N-(1-Methanesulfonyl-piperidin-4-yl)-2,2-dimethyl-propionamide
CID 3218771
2-[cyclohexyl(methylsulfonyl)amino]-N-propylacetamide
CID 1815812
N-butyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1815814
N-(1-propanoylpiperidin-3-yl)methanesulfonamide
CID 47180684
N-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 855511
N-(sec-butyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 2984150
N-(1-propan-2-ylsulfonylpiperidin-4-yl)propanamide
CID 44313539
N-(1-propan-2-ylsulfonylpiperidin-4-yl)acetamide
CID 44313540
1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 3152846

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide (CID 47908938) is 2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide is CC(C)(C)C(=O)NC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide?
The InChIKey is BOOCHWPECJLENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,3)10(14)12-9-6-5-7-13(8-9)17(4,15)16/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide?
2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-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-3-yl)propanamide is sourced from PubChem (CID 47908938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).