(4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol

C8H13F2NO3S — CID 164639839

IUPAC(4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol
SMILESO=S(=O)(C1CC1)N1CC[C@H](O)C(F)(F)C1
InChIInChI=1S/C8H13F2NO3S/c9-8(10)5-11(4-3-7(8)12)15(13,14)6-1-2-6/h6-7,12H,1-5H2/t7-/m0/s1
InChIKeyPUQOUTZGXXUYII-ZETCQYMHSA-N
MW241.26 g/mol
LogP0.18
Rot. Bonds2

About (4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol

(4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol (PubChem CID 164639839) has the molecular formula C8H13F2NO3S and a molecular weight of 241.26 g/mol. Its IUPAC name is (4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol
PubChem CID164639839
Molecular FormulaC8H13F2NO3S
Molecular Weight241.26 g/mol
Exact Mass241.06
IUPAC Name(4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol
SMILESO=S(=O)(C1CC1)N1CC[C@H](O)C(F)(F)C1
InChIInChI=1S/C8H13F2NO3S/c9-8(10)5-11(4-3-7(8)12)15(13,14)6-1-2-6/h6-7,12H,1-5H2/t7-/m0/s1
InChIKeyPUQOUTZGXXUYII-ZETCQYMHSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Trifluoromethanesulfonylpiperidin-4-ol
CID 43502784
1-(Difluoromethylsulfonyl)piperidin-4-ol
CID 43502794
1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-ol
CID 83059562
1-(4,4,4-Trifluorobutylsulfonyl)piperidin-3-ol
CID 83059563
1,1,1-Trifluoro-4-piperidin-1-ylsulfonylbutan-2-ol
CID 101759380
3-(1,1-Dioxothiazinan-2-yl)-2,2-difluoropropan-1-ol
CID 106172579
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
CID 107225039
3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
CID 114501668
1-Cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol
CID 137956059
2-[(3,3-Difluoropiperidin-1-yl)sulfonyl]ethan-1-ol
CID 164648515
1-Ethenylsulfonyl-3,3-difluoropiperidin-4-ol
CID 167810526
1-(2,2-Difluorocyclopropyl)sulfonylpiperidin-3-ol
CID 169117417

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol?
The IUPAC name of (4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol (CID 164639839) is (4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol.
What is the SMILES notation for (4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol?
The canonical SMILES for (4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol is O=S(=O)(C1CC1)N1CC[C@H](O)C(F)(F)C1.
What is the InChIKey of (4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol?
The InChIKey is PUQOUTZGXXUYII-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13F2NO3S/c9-8(10)5-11(4-3-7(8)12)15(13,14)6-1-2-6/h6-7,12H,1-5H2/t7-/m0/s1.
What are the key properties of (4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol?
(4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol has a molecular weight of 241.26 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol is sourced from PubChem (CID 164639839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).