N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide

C8H17FN2O2S — CID 164631280

IUPACN-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide
SMILESC[C@H](F)CCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17FN2O2S/c1-8(9)4-5-10-14(12,13)11-6-2-3-7-11/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyQKQYYSFPSFNZEW-QMMMGPOBSA-N
MW224.30 g/mol
LogP0.66
Rot. Bonds5

About N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide

N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide (PubChem CID 164631280) has the molecular formula C8H17FN2O2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide
PubChem CID164631280
Molecular FormulaC8H17FN2O2S
Molecular Weight224.30 g/mol
Exact Mass224.10
IUPAC NameN-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide
SMILESC[C@H](F)CCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17FN2O2S/c1-8(9)4-5-10-14(12,13)11-6-2-3-7-11/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyQKQYYSFPSFNZEW-QMMMGPOBSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide 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 N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide (CID 164631280) is N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide is C[C@H](F)CCNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide?
The InChIKey is QKQYYSFPSFNZEW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17FN2O2S/c1-8(9)4-5-10-14(12,13)11-6-2-3-7-11/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide?
N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide has a molecular weight of 224.30 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 164631280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).