N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide

C12H18FN3O2S — CID 86805509

IUPACN-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide
SMILESO=S(=O)(CCNc1ncccc1F)NCC1CCC1
InChIInChI=1S/C12H18FN3O2S/c13-11-5-2-6-14-12(11)15-7-8-19(17,18)16-9-10-3-1-4-10/h2,5-6,10,16H,1,3-4,7-9H2,(H,14,15)
InChIKeyVUPSDIZLYJOQGE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.35
Rot. Bonds7

About N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide

N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide (PubChem CID 86805509) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide
PubChem CID86805509
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC NameN-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide
SMILESO=S(=O)(CCNc1ncccc1F)NCC1CCC1
InChIInChI=1S/C12H18FN3O2S/c13-11-5-2-6-14-12(11)15-7-8-19(17,18)16-9-10-3-1-4-10/h2,5-6,10,16H,1,3-4,7-9H2,(H,14,15)
InChIKeyVUPSDIZLYJOQGE-UHFFFAOYSA-N
XLogP1.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide 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-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide (CID 86805509) is N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide is O=S(=O)(CCNc1ncccc1F)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide?
The InChIKey is VUPSDIZLYJOQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c13-11-5-2-6-14-12(11)15-7-8-19(17,18)16-9-10-3-1-4-10/h2,5-6,10,16H,1,3-4,7-9H2,(H,14,15).
What are the key properties of N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide?
N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide is sourced from PubChem (CID 86805509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).