1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol

C8H13F2NO3S — CID 169117417

IUPAC1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol
SMILESO=S(=O)(C1CC1(F)F)N1CCCC(O)C1
InChIInChI=1S/C8H13F2NO3S/c9-8(10)4-7(8)15(13,14)11-3-1-2-6(12)5-11/h6-7,12H,1-5H2
InChIKeyWRTXHGYYYNIWEO-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.18
Rot. Bonds2

About 1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol

1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol (PubChem CID 169117417) has the molecular formula C8H13F2NO3S and a molecular weight of 241.26 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol
PubChem CID169117417
Molecular FormulaC8H13F2NO3S
Molecular Weight241.26 g/mol
Exact Mass241.06
IUPAC Name1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol
SMILESO=S(=O)(C1CC1(F)F)N1CCCC(O)C1
InChIInChI=1S/C8H13F2NO3S/c9-8(10)4-7(8)15(13,14)11-3-1-2-6(12)5-11/h6-7,12H,1-5H2
InChIKeyWRTXHGYYYNIWEO-UHFFFAOYSA-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

(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
CID 94347275
1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
CID 55032348
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
CID 107225039
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
CID 43503049
(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 79031701
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol
CID 3867017
(3S)-N,N-diethyl-3-hydroxypiperidine-1-sulfonamide
CID 107225076
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol (CID 169117417) is 1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol is O=S(=O)(C1CC1(F)F)N1CCCC(O)C1.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol?
The InChIKey is WRTXHGYYYNIWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3S/c9-8(10)4-7(8)15(13,14)11-3-1-2-6(12)5-11/h6-7,12H,1-5H2.
What are the key properties of 1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol?
1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-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 1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 169117417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).