1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine

C14H28FNO2S — CID 170359181

IUPAC1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine
SMILESCCCC(CC)C1CCCN(S(=O)(=O)C(C)(C)F)C1
InChIInChI=1S/C14H28FNO2S/c1-5-8-12(6-2)13-9-7-10-16(11-13)19(17,18)14(3,4)15/h12-13H,5-11H2,1-4H3
InChIKeyATDVFZOFMJYCKZ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.56
Rot. Bonds6

About 1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine

1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine (PubChem CID 170359181) has the molecular formula C14H28FNO2S and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine.

Molecular Properties

Compound Name1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine
PubChem CID170359181
Molecular FormulaC14H28FNO2S
Molecular Weight293.45 g/mol
Exact Mass293.18
IUPAC Name1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine
SMILESCCCC(CC)C1CCCN(S(=O)(=O)C(C)(C)F)C1
InChIInChI=1S/C14H28FNO2S/c1-5-8-12(6-2)13-9-7-10-16(11-13)19(17,18)14(3,4)15/h12-13H,5-11H2,1-4H3
InChIKeyATDVFZOFMJYCKZ-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine?
The IUPAC name of 1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine (CID 170359181) is 1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine.
What is the SMILES notation for 1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine?
The canonical SMILES for 1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine is CCCC(CC)C1CCCN(S(=O)(=O)C(C)(C)F)C1.
What is the InChIKey of 1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine?
The InChIKey is ATDVFZOFMJYCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO2S/c1-5-8-12(6-2)13-9-7-10-16(11-13)19(17,18)14(3,4)15/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine?
1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine has a molecular weight of 293.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropan-2-ylsulfonyl)-3-hexan-3-ylpiperidine is sourced from PubChem (CID 170359181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).