1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C11H22FN3O3S — CID 168713871

IUPAC1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN(CCCN)CCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H22FN3O3S/c1-14(5-2-4-13)6-3-7-15-9-10(8-11(15)16)19(12,17)18/h10H,2-9,13H2,1H3
InChIKeyHTTMUVJAJKDYDP-UHFFFAOYSA-N
MW295.38 g/mol
LogP-0.44
Rot. Bonds8

About 1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713871) has the molecular formula C11H22FN3O3S and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713871
Molecular FormulaC11H22FN3O3S
Molecular Weight295.38 g/mol
Exact Mass295.14
IUPAC Name1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN(CCCN)CCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H22FN3O3S/c1-14(5-2-4-13)6-3-7-15-9-10(8-11(15)16)19(12,17)18/h10H,2-9,13H2,1H3
InChIKeyHTTMUVJAJKDYDP-UHFFFAOYSA-N
XLogP-0.44
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[3-aminopropyl(methyl)amino]propyl]-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-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713871) is 1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride is CN(CCCN)CCCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is HTTMUVJAJKDYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN3O3S/c1-14(5-2-4-13)6-3-7-15-9-10(8-11(15)16)19(12,17)18/h10H,2-9,13H2,1H3.
What are the key properties of 1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 295.38 g/mol, XLogP of -0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-aminopropyl(methyl)amino]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).