N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide

C11H22N2O3S — CID 136521862

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide
SMILESCN1CCC(C)(CNC(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-11(4-6-13(2)7-5-11)9-12-10(14)8-17(3,15)16/h4-9H2,1-3H3,(H,12,14)
InChIKeyAYPMXWGEDMHMEV-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.12
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide (PubChem CID 136521862) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide
PubChem CID136521862
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide
SMILESCN1CCC(C)(CNC(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-11(4-6-13(2)7-5-11)9-12-10(14)8-17(3,15)16/h4-9H2,1-3H3,(H,12,14)
InChIKeyAYPMXWGEDMHMEV-UHFFFAOYSA-N
XLogP-0.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid
CID 107163135
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 107163946
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
CID 107164032
3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
CID 103993093
2-(2-aminoethoxy)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107164001
(2S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 107164775
2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107162871
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107163897
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107162880

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide (CID 136521862) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide is CN1CCC(C)(CNC(=O)CS(C)(=O)=O)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide?
The InChIKey is AYPMXWGEDMHMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(4-6-13(2)7-5-11)9-12-10(14)8-17(3,15)16/h4-9H2,1-3H3,(H,12,14).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide has a molecular weight of 262.37 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide is sourced from PubChem (CID 136521862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).