5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine

C10H13F3N2O2S2 — CID 61301548

IUPAC5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C10H13F3N2O2S2/c11-10(12,13)7-2-1-3-15(5-7)19(16,17)9-4-8(14)6-18-9/h4,6-7H,1-3,5,14H2
InChIKeyJKGYOUSQYKSWIU-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.29
Rot. Bonds2

About 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine

5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine (PubChem CID 61301548) has the molecular formula C10H13F3N2O2S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine
PubChem CID61301548
Molecular FormulaC10H13F3N2O2S2
Molecular Weight314.35 g/mol
Exact Mass314.04
IUPAC Name5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C10H13F3N2O2S2/c11-10(12,13)7-2-1-3-15(5-7)19(16,17)9-4-8(14)6-18-9/h4,6-7H,1-3,5,14H2
InChIKeyJKGYOUSQYKSWIU-UHFFFAOYSA-N
XLogP2.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine?
The IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine (CID 61301548) is 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine is Nc1csc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine?
The InChIKey is JKGYOUSQYKSWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S2/c11-10(12,13)7-2-1-3-15(5-7)19(16,17)9-4-8(14)6-18-9/h4,6-7H,1-3,5,14H2.
What are the key properties of 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine?
5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine has a molecular weight of 314.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine is sourced from PubChem (CID 61301548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).