1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol

C15H26F2N2O3S — CID 110109025

IUPAC1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol
SMILESO=S(=O)(C1CCCC1)N1CCC(O)(CN2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H26F2N2O3S/c16-15(17)6-8-18(9-7-15)11-14(20)5-10-19(12-14)23(21,22)13-3-1-2-4-13/h13,20H,1-12H2
InChIKeyXNRHFSGYMRAVMP-UHFFFAOYSA-N
MW352.45 g/mol
LogP1.43
Rot. Bonds4

About 1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol

1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol (PubChem CID 110109025) has the molecular formula C15H26F2N2O3S and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol
PubChem CID110109025
Molecular FormulaC15H26F2N2O3S
Molecular Weight352.45 g/mol
Exact Mass352.16
IUPAC Name1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol
SMILESO=S(=O)(C1CCCC1)N1CCC(O)(CN2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H26F2N2O3S/c16-15(17)6-8-18(9-7-15)11-14(20)5-10-19(12-14)23(21,22)13-3-1-2-4-13/h13,20H,1-12H2
InChIKeyXNRHFSGYMRAVMP-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-Methylsulfonylpiperidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 86778781
(3R)-1-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97045268
(3R)-1-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97045269
(3S)-1-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 100083523
(3S)-1-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 100083525
3-[(4,4-Difluoropiperidin-1-yl)methyl]-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 110098088
3-[(4,4-Difluoropiperidin-1-yl)methyl]-1-ethylsulfonylpyrrolidin-3-ol
CID 110108990
3-[(4,4-Difluoropiperidin-1-yl)methyl]-1-propylsulfonylpyrrolidin-3-ol
CID 110108991
1-Cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113318700
(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1-propylsulfonylpyrrolidin-3-ol
CID 125004665
(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1-propylsulfonylpyrrolidin-3-ol
CID 125004666
(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 125007521

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol (CID 110109025) is 1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol is O=S(=O)(C1CCCC1)N1CCC(O)(CN2CCC(F)(F)CC2)C1.
What is the InChIKey of 1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol?
The InChIKey is XNRHFSGYMRAVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O3S/c16-15(17)6-8-18(9-7-15)11-14(20)5-10-19(12-14)23(21,22)13-3-1-2-4-13/h13,20H,1-12H2.
What are the key properties of 1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol?
1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol has a molecular weight of 352.45 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-3-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 110109025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).