2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide

C11H19NO3S — CID 71859617

IUPAC2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)N(C)C(=O)CC1C=CCC1
InChIInChI=1S/C11H19NO3S/c1-9(2)16(14,15)12(3)11(13)8-10-6-4-5-7-10/h4,6,9-10H,5,7-8H2,1-3H3
InChIKeyAWUZWJGYASYJND-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.54
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide

2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide (PubChem CID 71859617) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide
PubChem CID71859617
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)N(C)C(=O)CC1C=CCC1
InChIInChI=1S/C11H19NO3S/c1-9(2)16(14,15)12(3)11(13)8-10-6-4-5-7-10/h4,6,9-10H,5,7-8H2,1-3H3
InChIKeyAWUZWJGYASYJND-UHFFFAOYSA-N
XLogP1.54
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide (CID 71859617) is 2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide is CC(C)S(=O)(=O)N(C)C(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide?
The InChIKey is AWUZWJGYASYJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-9(2)16(14,15)12(3)11(13)8-10-6-4-5-7-10/h4,6,9-10H,5,7-8H2,1-3H3.
What are the key properties of 2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide?
2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide has a molecular weight of 245.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-methyl-N-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 71859617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).