2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide

C11H22N2O3S — CID 164739907

IUPAC2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-9(2)11(14)12-6-4-10-5-7-13(8-10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyYFNYHRVJYHTJSZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.43
Rot. Bonds5

About 2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide

2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide (PubChem CID 164739907) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide
PubChem CID164739907
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-9(2)11(14)12-6-4-10-5-7-13(8-10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyYFNYHRVJYHTJSZ-UHFFFAOYSA-N
XLogP0.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide
CID 155154969
2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide
CID 84686765
N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]prop-2-enamide
CID 167842346
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
CID 79612688
2-(1-methylsulfonylpiperidin-4-yl)ethylhydrazine
CID 84687127
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
CID 17221589
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine
CID 79612453
2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
CID 70852288
3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59148137
cis-(1R,3S)-2,2-dimethyl-3-[(1-methylsulfonylpyrrolidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122066651
N-[(4S,5S)-5-hydroxy-1-methylsulfonylazepan-4-yl]-2-methylpropanamide
CID 110126661

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide (CID 164739907) is 2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide is CC(C)C(=O)NCCC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide?
The InChIKey is YFNYHRVJYHTJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(2)11(14)12-6-4-10-5-7-13(8-10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide?
2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide has a molecular weight of 262.37 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 164739907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).