3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol

C11H14F3N3O3S — CID 156567140

IUPAC3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
SMILESNCC1(O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H14F3N3O3S/c12-11(13,14)9-2-1-8(5-16-9)21(19,20)17-4-3-10(18,6-15)7-17/h1-2,5,18H,3-4,6-7,15H2
InChIKeyKFTFOGZJCKBIIP-UHFFFAOYSA-N
MW325.31 g/mol
LogP0.18
Rot. Bonds3

About 3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol

3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol (PubChem CID 156567140) has the molecular formula C11H14F3N3O3S and a molecular weight of 325.31 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
PubChem CID156567140
Molecular FormulaC11H14F3N3O3S
Molecular Weight325.31 g/mol
Exact Mass325.07
IUPAC Name3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
SMILESNCC1(O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H14F3N3O3S/c12-11(13,14)9-2-1-8(5-16-9)21(19,20)17-4-3-10(18,6-15)7-17/h1-2,5,18H,3-4,6-7,15H2
InChIKeyKFTFOGZJCKBIIP-UHFFFAOYSA-N
XLogP0.18
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol (CID 156567140) is 3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol is NCC1(O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of 3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The InChIKey is KFTFOGZJCKBIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3S/c12-11(13,14)9-2-1-8(5-16-9)21(19,20)17-4-3-10(18,6-15)7-17/h1-2,5,18H,3-4,6-7,15H2.
What are the key properties of 3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol has a molecular weight of 325.31 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 156567140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).