2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide

C8H15FN2O3S — CID 71010688

IUPAC2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C8H15FN2O3S/c1-8(2,7(10)12)15(13,14)11-4-3-6(9)5-11/h6H,3-5H2,1-2H3,(H2,10,12)
InChIKeyUVKVXJZTFRBBRN-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.38
Rot. Bonds3

About 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide

2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide (PubChem CID 71010688) has the molecular formula C8H15FN2O3S and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide
PubChem CID71010688
Molecular FormulaC8H15FN2O3S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C8H15FN2O3S/c1-8(2,7(10)12)15(13,14)11-4-3-6(9)5-11/h6H,3-5H2,1-2H3,(H2,10,12)
InChIKeyUVKVXJZTFRBBRN-UHFFFAOYSA-N
XLogP-0.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide (CID 71010688) is 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide is CC(C)(C(N)=O)S(=O)(=O)N1CCC(F)C1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide?
The InChIKey is UVKVXJZTFRBBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O3S/c1-8(2,7(10)12)15(13,14)11-4-3-6(9)5-11/h6H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide?
2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide has a molecular weight of 238.28 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 71010688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).