[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine

C6H12F2N2O2S — CID 62061980

IUPAC[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-2-1-5(3-9)4-10/h5-6H,1-4,9H2
InChIKeyLODSUKXOCOYWHM-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.18
Rot. Bonds3

About [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine

[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine (PubChem CID 62061980) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
PubChem CID62061980
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-2-1-5(3-9)4-10/h5-6H,1-4,9H2
InChIKeyLODSUKXOCOYWHM-UHFFFAOYSA-N
XLogP-0.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine (CID 62061980) is [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine is NCC1CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
The InChIKey is LODSUKXOCOYWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-2-1-5(3-9)4-10/h5-6H,1-4,9H2.
What are the key properties of [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine has a molecular weight of 214.24 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62061980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).