[5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone

C12H15F2NO3S — CID 43417503

IUPAC[5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(CSC(F)F)o1)N1CCC(O)CC1
InChIInChI=1S/C12H15F2NO3S/c13-12(14)19-7-9-1-2-10(18-9)11(17)15-5-3-8(16)4-6-15/h1-2,8,12,16H,3-7H2
InChIKeyRCZSHMVXXCXHPB-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.33
Rot. Bonds4

About [5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone

[5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43417503) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is [5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43417503
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name[5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(CSC(F)F)o1)N1CCC(O)CC1
InChIInChI=1S/C12H15F2NO3S/c13-12(14)19-7-9-1-2-10(18-9)11(17)15-5-3-8(16)4-6-15/h1-2,8,12,16H,3-7H2
InChIKeyRCZSHMVXXCXHPB-UHFFFAOYSA-N
XLogP2.33
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065124
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405
1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
CID 119111981
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
2-[cyclopropyl-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 60827221
[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 60634727
[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
CID 43753545
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43354351
5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
CID 60735591
(4-aminopiperidin-1-yl)-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone;dihydrochloride
CID 119373580
5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
CID 115760047
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 79030798

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 43417503) is [5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(CSC(F)F)o1)N1CCC(O)CC1.
What is the InChIKey of [5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is RCZSHMVXXCXHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-12(14)19-7-9-1-2-10(18-9)11(17)15-5-3-8(16)4-6-15/h1-2,8,12,16H,3-7H2.
What are the key properties of [5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
[5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 291.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43417503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).