N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C19H23F3N2O2S2 — CID 71796741

IUPACN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C19H23F3N2O2S2/c20-19(21,22)18-3-1-16(2-4-18)14-28(25,26)23-11-15-5-8-24(9-6-15)12-17-7-10-27-13-17/h1-4,7,10,13,15,23H,5-6,8-9,11-12,14H2
InChIKeyGWUOTKZJYNJUHK-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.10
Rot. Bonds7

About N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71796741) has the molecular formula C19H23F3N2O2S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71796741
Molecular FormulaC19H23F3N2O2S2
Molecular Weight432.53 g/mol
Exact Mass432.12
IUPAC NameN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C19H23F3N2O2S2/c20-19(21,22)18-3-1-16(2-4-18)14-28(25,26)23-11-15-5-8-24(9-6-15)12-17-7-10-27-13-17/h1-4,7,10,13,15,23H,5-6,8-9,11-12,14H2
InChIKeyGWUOTKZJYNJUHK-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71796741) is N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is GWUOTKZJYNJUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2S2/c20-19(21,22)18-3-1-16(2-4-18)14-28(25,26)23-11-15-5-8-24(9-6-15)12-17-7-10-27-13-17/h1-4,7,10,13,15,23H,5-6,8-9,11-12,14H2.
What are the key properties of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 432.53 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71796741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).