2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide

C10H20N2O3S — CID 110345324

IUPAC2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
SMILESCC(C)C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N2O3S/c1-9(2)10(13)11-5-8-16(14,15)12-6-3-4-7-12/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyJGEMTTCHWATXGX-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.18
Rot. Bonds5

About 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide

2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide (PubChem CID 110345324) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
PubChem CID110345324
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
SMILESCC(C)C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N2O3S/c1-9(2)10(13)11-5-8-16(14,15)12-6-3-4-7-12/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyJGEMTTCHWATXGX-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The IUPAC name of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide (CID 110345324) is 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The canonical SMILES for 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide is CC(C)C(=O)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The InChIKey is JGEMTTCHWATXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9(2)10(13)11-5-8-16(14,15)12-6-3-4-7-12/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide has a molecular weight of 248.35 g/mol, XLogP of 0.18, 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-pyrrolidin-1-ylsulfonylethyl)propanamide is sourced from PubChem (CID 110345324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).