2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide

C10H20N2O3S — CID 103308078

IUPAC2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)C(C)C)CCCN1
InChIInChI=1S/C10H20N2O3S/c1-4-10(6-5-7-11-10)9(13)12-16(14,15)8(2)3/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeySQZFUPZGGPJUAO-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.37
Rot. Bonds4

About 2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide

2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 103308078) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID103308078
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)C(C)C)CCCN1
InChIInChI=1S/C10H20N2O3S/c1-4-10(6-5-7-11-10)9(13)12-16(14,15)8(2)3/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeySQZFUPZGGPJUAO-UHFFFAOYSA-N
XLogP0.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide (CID 103308078) is 2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide is CCC1(C(=O)NS(=O)(=O)C(C)C)CCCN1.
What is the InChIKey of 2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is SQZFUPZGGPJUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-4-10(6-5-7-11-10)9(13)12-16(14,15)8(2)3/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103308078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).