(3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine

C10H12F3NO2S2 — CID 7064245

IUPAC(3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1cccs1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H12F3NO2S2/c11-10(12,13)8-3-1-5-14(7-8)18(15,16)9-4-2-6-17-9/h2,4,6,8H,1,3,5,7H2/t8-/m1/s1
InChIKeyZTJFETGSDILYOH-MRVPVSSYSA-N
MW299.34 g/mol
LogP2.71
Rot. Bonds2

About (3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine

(3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 7064245) has the molecular formula C10H12F3NO2S2 and a molecular weight of 299.34 g/mol. Its IUPAC name is (3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
PubChem CID7064245
Molecular FormulaC10H12F3NO2S2
Molecular Weight299.34 g/mol
Exact Mass299.03
IUPAC Name(3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1cccs1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H12F3NO2S2/c11-10(12,13)8-3-1-5-14(7-8)18(15,16)9-4-2-6-17-9/h2,4,6,8H,1,3,5,7H2/t8-/m1/s1
InChIKeyZTJFETGSDILYOH-MRVPVSSYSA-N
XLogP2.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of (3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine (CID 7064245) is (3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for (3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for (3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine is O=S(=O)(c1cccs1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is ZTJFETGSDILYOH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12F3NO2S2/c11-10(12,13)8-3-1-5-14(7-8)18(15,16)9-4-2-6-17-9/h2,4,6,8H,1,3,5,7H2/t8-/m1/s1.
What are the key properties of (3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
(3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 299.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 7064245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).