1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine

C9H16F3NO2S — CID 61362261

IUPAC1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine
SMILESCC(C)S(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-7(2)16(14,15)13-5-3-4-8(6-13)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyHGKVEOIFRXBJEF-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.00
Rot. Bonds2

About 1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine

1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 61362261) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine
PubChem CID61362261
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine
SMILESCC(C)S(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-7(2)16(14,15)13-5-3-4-8(6-13)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyHGKVEOIFRXBJEF-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine (CID 61362261) is 1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine is CC(C)S(=O)(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is HGKVEOIFRXBJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-7(2)16(14,15)13-5-3-4-8(6-13)9(10,11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 259.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 61362261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).