3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine

C8H16F2N2O2S — CID 63766227

IUPAC3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c9-8(10)15(13,14)12-6-2-4-7(12)3-1-5-11/h7-8H,1-6,11H2
InChIKeyOXLDSADTDSZJFY-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.74
Rot. Bonds5

About 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine

3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 63766227) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
PubChem CID63766227
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC Name3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c9-8(10)15(13,14)12-6-2-4-7(12)3-1-5-11/h7-8H,1-6,11H2
InChIKeyOXLDSADTDSZJFY-UHFFFAOYSA-N
XLogP0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine 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-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine (CID 63766227) is 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine is NCCCC1CCCN1S(=O)(=O)C(F)F.
What is the InChIKey of 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is OXLDSADTDSZJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c9-8(10)15(13,14)12-6-2-4-7(12)3-1-5-11/h7-8H,1-6,11H2.
What are the key properties of 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 242.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 63766227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).