3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol

C11H15F2N3O3S — CID 156567252

IUPAC3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol
SMILESNCC1(O)CCN(S(=O)(=O)c2ccc(C(F)F)cn2)C1
InChIInChI=1S/C11H15F2N3O3S/c12-10(13)8-1-2-9(15-5-8)20(18,19)16-4-3-11(17,6-14)7-16/h1-2,5,10,17H,3-4,6-7,14H2
InChIKeyGZOBKGNXHNXRBK-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.10
Rot. Bonds4

About 3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol

3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol (PubChem CID 156567252) has the molecular formula C11H15F2N3O3S and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol
PubChem CID156567252
Molecular FormulaC11H15F2N3O3S
Molecular Weight307.32 g/mol
Exact Mass307.08
IUPAC Name3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol
SMILESNCC1(O)CCN(S(=O)(=O)c2ccc(C(F)F)cn2)C1
InChIInChI=1S/C11H15F2N3O3S/c12-10(13)8-1-2-9(15-5-8)20(18,19)16-4-3-11(17,6-14)7-16/h1-2,5,10,17H,3-4,6-7,14H2
InChIKeyGZOBKGNXHNXRBK-UHFFFAOYSA-N
XLogP0.10
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol 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 3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol (CID 156567252) is 3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol is NCC1(O)CCN(S(=O)(=O)c2ccc(C(F)F)cn2)C1.
What is the InChIKey of 3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The InChIKey is GZOBKGNXHNXRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O3S/c12-10(13)8-1-2-9(15-5-8)20(18,19)16-4-3-11(17,6-14)7-16/h1-2,5,10,17H,3-4,6-7,14H2.
What are the key properties of 3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol?
3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol has a molecular weight of 307.32 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[[5-(difluoromethyl)-2-pyridinyl]sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 156567252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).