1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C7H13FN2O3S — CID 168713127

IUPAC1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(CN)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C7H13FN2O3S/c1-5(3-9)10-4-6(2-7(10)11)14(8,12)13/h5-6H,2-4,9H2,1H3
InChIKeyDCHBONSETSPMOE-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.77
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713127) has the molecular formula C7H13FN2O3S and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713127
Molecular FormulaC7H13FN2O3S
Molecular Weight224.26 g/mol
Exact Mass224.06
IUPAC Name1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(CN)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C7H13FN2O3S/c1-5(3-9)10-4-6(2-7(10)11)14(8,12)13/h5-6H,2-4,9H2,1H3
InChIKeyDCHBONSETSPMOE-UHFFFAOYSA-N
XLogP-0.77
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713127) is 1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is CC(CN)N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is DCHBONSETSPMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O3S/c1-5(3-9)10-4-6(2-7(10)11)14(8,12)13/h5-6H,2-4,9H2,1H3.
What are the key properties of 1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 224.26 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).