(1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C16H21F3N2O3S2 — CID 2927682

IUPAC(1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O3S2/c17-16(18,19)13-3-1-7-20(11-13)15(22)12-5-8-21(9-6-12)26(23,24)14-4-2-10-25-14/h2,4,10,12-13H,1,3,5-9,11H2
InChIKeyUZPCPGDQVBNEHJ-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.95
Rot. Bonds3

About (1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 2927682) has the molecular formula C16H21F3N2O3S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is (1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID2927682
Molecular FormulaC16H21F3N2O3S2
Molecular Weight410.48 g/mol
Exact Mass410.09
IUPAC Name(1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O3S2/c17-16(18,19)13-3-1-7-20(11-13)15(22)12-5-8-21(9-6-12)26(23,24)14-4-2-10-25-14/h2,4,10,12-13H,1,3,5-9,11H2
InChIKeyUZPCPGDQVBNEHJ-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 2927682) is (1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is UZPCPGDQVBNEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S2/c17-16(18,19)13-3-1-7-20(11-13)15(22)12-5-8-21(9-6-12)26(23,24)14-4-2-10-25-14/h2,4,10,12-13H,1,3,5-9,11H2.
What are the key properties of (1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 410.48 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiophen-2-ylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 2927682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).