3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine

C14H26F3NO2S — CID 167269058

IUPAC3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
SMILESCCC(C)C1(S(=O)(=O)C(C)C)CCC(C(F)(F)F)NC1C
InChIInChI=1S/C14H26F3NO2S/c1-6-10(4)13(21(19,20)9(2)3)8-7-12(14(15,16)17)18-11(13)5/h9-12,18H,6-8H2,1-5H3
InChIKeyKUUUAYKIKRQUNL-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.30
Rot. Bonds4

About 3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine

3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine (PubChem CID 167269058) has the molecular formula C14H26F3NO2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
PubChem CID167269058
Molecular FormulaC14H26F3NO2S
Molecular Weight329.43 g/mol
Exact Mass329.16
IUPAC Name3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
SMILESCCC(C)C1(S(=O)(=O)C(C)C)CCC(C(F)(F)F)NC1C
InChIInChI=1S/C14H26F3NO2S/c1-6-10(4)13(21(19,20)9(2)3)8-7-12(14(15,16)17)18-11(13)5/h9-12,18H,6-8H2,1-5H3
InChIKeyKUUUAYKIKRQUNL-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine?
The IUPAC name of 3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine (CID 167269058) is 3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine?
The canonical SMILES for 3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine is CCC(C)C1(S(=O)(=O)C(C)C)CCC(C(F)(F)F)NC1C.
What is the InChIKey of 3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine?
The InChIKey is KUUUAYKIKRQUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2S/c1-6-10(4)13(21(19,20)9(2)3)8-7-12(14(15,16)17)18-11(13)5/h9-12,18H,6-8H2,1-5H3.
What are the key properties of 3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine?
3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine has a molecular weight of 329.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 167269058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).