1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide

C11H19F3N2O4S — CID 103726127

IUPAC1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O4S/c1-2-21(19,20)16-5-3-8(4-6-16)10(18)15-7-9(17)11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyLPUMBZDUXSAVHU-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.09
Rot. Bonds5

About 1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 103726127) has the molecular formula C11H19F3N2O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
PubChem CID103726127
Molecular FormulaC11H19F3N2O4S
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O4S/c1-2-21(19,20)16-5-3-8(4-6-16)10(18)15-7-9(17)11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyLPUMBZDUXSAVHU-UHFFFAOYSA-N
XLogP0.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.09
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-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-ethylsulfonylpiperidine-4-carboxamide
CID 103770227
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 1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide (CID 103726127) is 1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCC(O)C(F)(F)F)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is LPUMBZDUXSAVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4S/c1-2-21(19,20)16-5-3-8(4-6-16)10(18)15-7-9(17)11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18).
What are the key properties of 1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 103726127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).