(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol

C9H16F3NO3S — CID 107225039

IUPAC(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC[C@H](O)C1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)4-2-6-17(15,16)13-5-1-3-8(14)7-13/h8,14H,1-7H2/t8-/m0/s1
InChIKeyHSQSUNLKUFWULW-QMMMGPOBSA-N
MW275.29 g/mol
LogP1.12
Rot. Bonds4

About (3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol

(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol (PubChem CID 107225039) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is (3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
PubChem CID107225039
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC[C@H](O)C1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)4-2-6-17(15,16)13-5-1-3-8(14)7-13/h8,14H,1-7H2/t8-/m0/s1
InChIKeyHSQSUNLKUFWULW-QMMMGPOBSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanone
CID 83057913
4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid
CID 43503064
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid
CID 93086343
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
CID 43503049
(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
CID 66291110
1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde
CID 83058258
N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
CID 114498826
4-(4,4,4-trifluorobutylsulfonyl)morpholine-2-carboxylic acid
CID 83067729
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol?
The IUPAC name of (3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol (CID 107225039) is (3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol is O=S(=O)(CCCC(F)(F)F)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol?
The InChIKey is HSQSUNLKUFWULW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c10-9(11,12)4-2-6-17(15,16)13-5-1-3-8(14)7-13/h8,14H,1-7H2/t8-/m0/s1.
What are the key properties of (3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol?
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol has a molecular weight of 275.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol is sourced from PubChem (CID 107225039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).