N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine

C7H13F3N2O2S — CID 63263924

IUPACN-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O2S/c1-11-4-6-2-3-12(5-6)15(13,14)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyWSILKEKUQOHWDF-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.38
Rot. Bonds3

About N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine (PubChem CID 63263924) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
PubChem CID63263924
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC NameN-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O2S/c1-11-4-6-2-3-12(5-6)15(13,14)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyWSILKEKUQOHWDF-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 55168861
N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977837
3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 63264239
N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanamine
CID 120709622
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 119977585
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119977584
N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977939
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977697
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-methyl-1-[(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine
CID 124686558

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine (CID 63263924) is N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine is CNCC1CCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
The InChIKey is WSILKEKUQOHWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-11-4-6-2-3-12(5-6)15(13,14)7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine has a molecular weight of 246.25 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63263924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).