[(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

C20H26F2N2O5S2 — CID 166634326

IUPAC[(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)C3CC3)cc2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C20H26F2N2O5S2/c21-20(22)9-12-23(13-10-20)19(25)15-2-1-11-24(14-15)31(28,29)18-7-5-17(6-8-18)30(26,27)16-3-4-16/h5-8,15-16H,1-4,9-14H2/t15-/m1/s1
InChIKeyPWWITYKKIJHZPP-OAHLLOKOSA-N
MW476.57 g/mol
LogP2.28
Rot. Bonds5

About [(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

[(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 166634326) has the molecular formula C20H26F2N2O5S2 and a molecular weight of 476.57 g/mol. Its IUPAC name is [(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID166634326
Molecular FormulaC20H26F2N2O5S2
Molecular Weight476.57 g/mol
Exact Mass476.13
IUPAC Name[(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)C3CC3)cc2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C20H26F2N2O5S2/c21-20(22)9-12-23(13-10-20)19(25)15-2-1-11-24(14-15)31(28,29)18-7-5-17(6-8-18)30(26,27)16-3-4-16/h5-8,15-16H,1-4,9-14H2/t15-/m1/s1
InChIKeyPWWITYKKIJHZPP-OAHLLOKOSA-N
XLogP2.28
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone with MolForge

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[(3R)-1-(4-dimethylphosphorylphenyl)sulfonylpiperidin-3-yl]methanone
CID 162365255
[1-(3-bromophenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 175666686
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 51322299

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 166634326) is [(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)C3CC3)cc2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of [(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is PWWITYKKIJHZPP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26F2N2O5S2/c21-20(22)9-12-23(13-10-20)19(25)15-2-1-11-24(14-15)31(28,29)18-7-5-17(6-8-18)30(26,27)16-3-4-16/h5-8,15-16H,1-4,9-14H2/t15-/m1/s1.
What are the key properties of [(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 476.57 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 166634326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).