2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide

C13H26N2O4S — CID 156603401

IUPAC2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCOCC(=O)NC1CN(CCS(C)(=O)=O)CC1C(C)C
InChIInChI=1S/C13H26N2O4S/c1-10(2)11-7-15(5-6-20(4,17)18)8-12(11)14-13(16)9-19-3/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyUQWJYPRVAAHYAB-UHFFFAOYSA-N
MW306.43 g/mol
LogP-0.25
Rot. Bonds7

About 2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide

2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 156603401) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID156603401
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCOCC(=O)NC1CN(CCS(C)(=O)=O)CC1C(C)C
InChIInChI=1S/C13H26N2O4S/c1-10(2)11-7-15(5-6-20(4,17)18)8-12(11)14-13(16)9-19-3/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyUQWJYPRVAAHYAB-UHFFFAOYSA-N
XLogP-0.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 156603401) is 2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide is COCC(=O)NC1CN(CCS(C)(=O)=O)CC1C(C)C.
What is the InChIKey of 2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is UQWJYPRVAAHYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-10(2)11-7-15(5-6-20(4,17)18)8-12(11)14-13(16)9-19-3/h10-12H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 306.43 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 156603401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).