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

C9H18N2O3S — CID 155154969

IUPACN-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-8(12)10-5-3-9-4-6-11(7-9)15(2,13)14/h9H,3-7H2,1-2H3,(H,10,12)
InChIKeyDWEZPBOGBUIACQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.21
Rot. Bonds4

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

N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide (PubChem CID 155154969) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide
PubChem CID155154969
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-8(12)10-5-3-9-4-6-11(7-9)15(2,13)14/h9H,3-7H2,1-2H3,(H,10,12)
InChIKeyDWEZPBOGBUIACQ-UHFFFAOYSA-N
XLogP-0.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide
CID 164739907
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
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
2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine
CID 79612453
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
1-(2,2-dimethylbutyl)-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]urea
CID 124622355

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide (CID 155154969) is N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide is CC(=O)NCCC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide?
The InChIKey is DWEZPBOGBUIACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-8(12)10-5-3-9-4-6-11(7-9)15(2,13)14/h9H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide?
N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide has a molecular weight of 234.32 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 155154969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).