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

C11H20F2N2O4S — CID 103770227

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC(O)C(F)F)CC1
InChIInChI=1S/C11H20F2N2O4S/c1-2-20(18,19)15-5-3-8(4-6-15)11(17)14-7-9(16)10(12)13/h8-10,16H,2-7H2,1H3,(H,14,17)
InChIKeyDYUBANJBWPRUSE-UHFFFAOYSA-N
MW314.35 g/mol
LogP-0.21
Rot. Bonds6

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

N-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 103770227) has the molecular formula C11H20F2N2O4S and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID103770227
Molecular FormulaC11H20F2N2O4S
Molecular Weight314.35 g/mol
Exact Mass314.11
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC(O)C(F)F)CC1
InChIInChI=1S/C11H20F2N2O4S/c1-2-20(18,19)15-5-3-8(4-6-15)11(17)14-7-9(16)10(12)13/h8-10,16H,2-7H2,1H3,(H,14,17)
InChIKeyDYUBANJBWPRUSE-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-(2-methoxyethyl)-1-(propylsulfonyl)-4-piperidinecarboxamide
CID 6472251
1-(isopropylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 52417111
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-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
CID 103723303
1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
CID 103726127
1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 103726412
N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 103770138
N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 103770252
N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 103857345
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 104857887

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 103770227) is N-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCC(O)C(F)F)CC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is DYUBANJBWPRUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O4S/c1-2-20(18,19)15-5-3-8(4-6-15)11(17)14-7-9(16)10(12)13/h8-10,16H,2-7H2,1H3,(H,14,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 103770227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).