N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide

C11H20F2N2O4S — CID 104857887

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC(F)(F)CO)CC1
InChIInChI=1S/C11H20F2N2O4S/c1-2-20(18,19)15-5-3-9(4-6-15)10(17)14-7-11(12,13)8-16/h9,16H,2-8H2,1H3,(H,14,17)
InChIKeyBUTYALNSUOUUIM-UHFFFAOYSA-N
MW314.35 g/mol
LogP-0.21
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 104857887) has the molecular formula C11H20F2N2O4S and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID104857887
Molecular FormulaC11H20F2N2O4S
Molecular Weight314.35 g/mol
Exact Mass314.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC(F)(F)CO)CC1
InChIInChI=1S/C11H20F2N2O4S/c1-2-20(18,19)15-5-3-9(4-6-15)10(17)14-7-11(12,13)8-16/h9,16H,2-8H2,1H3,(H,14,17)
InChIKeyBUTYALNSUOUUIM-UHFFFAOYSA-N
XLogP-0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxypropyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236383
N-(3-ethoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236874
N-(3-methoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3241491
1-(ethylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 3241542
1-(isopropylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 52417111
1,1,2,2,3,3-Hexafluoro-4-[[1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine-4-carbonyl]amino]butane-1-sulfonic acid
CID 174135363
N-[2-(ethylsulfonylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53504266
N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 86795043
1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 90500445
1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 90500446
1-(butylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 90500448
1-(cyclopropylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 90500492

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 104857887) is N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCC(F)(F)CO)CC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is BUTYALNSUOUUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O4S/c1-2-20(18,19)15-5-3-9(4-6-15)10(17)14-7-11(12,13)8-16/h9,16H,2-8H2,1H3,(H,14,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 104857887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).