3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide

C10H19F3N2O3S — CID 103834061

IUPAC3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O3S/c1-7-3-8(2)6-15(5-7)19(17,18)14-4-9(16)10(11,12)13/h7-9,14,16H,3-6H2,1-2H3
InChIKeySAMSOWANNOPJQT-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.72
Rot. Bonds4

About 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide

3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide (PubChem CID 103834061) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide
PubChem CID103834061
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O3S/c1-7-3-8(2)6-15(5-7)19(17,18)14-4-9(16)10(11,12)13/h7-9,14,16H,3-6H2,1-2H3
InChIKeySAMSOWANNOPJQT-UHFFFAOYSA-N
XLogP0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258297
2-[[(3,5-dimethylpiperidin-1-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65221418
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
3-amino-5-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816194
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056
(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 99850353
3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide
CID 134034359
N-(3-cyclopentylpropyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 55571821
N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 62665167
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide
CID 113242615
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 115755605

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide (CID 103834061) is 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCC(O)C(F)(F)F)C1.
What is the InChIKey of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide?
The InChIKey is SAMSOWANNOPJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-7-3-8(2)6-15(5-7)19(17,18)14-4-9(16)10(11,12)13/h7-9,14,16H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide?
3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 103834061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).