(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine

C10H11ClF3NO2S2 — CID 7986198

IUPAC(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H11ClF3NO2S2/c11-8-3-4-9(18-8)19(16,17)15-5-1-2-7(6-15)10(12,13)14/h3-4,7H,1-2,5-6H2/t7-/m0/s1
InChIKeyFSKSLUOXVZPMFE-ZETCQYMHSA-N
MW333.78 g/mol
LogP3.36
Rot. Bonds2

About (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine

(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 7986198) has the molecular formula C10H11ClF3NO2S2 and a molecular weight of 333.78 g/mol. Its IUPAC name is (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine
PubChem CID7986198
Molecular FormulaC10H11ClF3NO2S2
Molecular Weight333.78 g/mol
Exact Mass332.99
IUPAC Name(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H11ClF3NO2S2/c11-8-3-4-9(18-8)19(16,17)15-5-1-2-7(6-15)10(12,13)14/h3-4,7H,1-2,5-6H2/t7-/m0/s1
InChIKeyFSKSLUOXVZPMFE-ZETCQYMHSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine (CID 7986198) is (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine is O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is FSKSLUOXVZPMFE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S2/c11-8-3-4-9(18-8)19(16,17)15-5-1-2-7(6-15)10(12,13)14/h3-4,7H,1-2,5-6H2/t7-/m0/s1.
What are the key properties of (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine?
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 333.78 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 7986198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).