N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide

C15H22F3N5O3S — CID 174324844

IUPACN-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N5O3S/c1-26-10-11-7-22(14-3-2-5-19-20-14)6-4-13(11)21-27(24,25)23-8-12(9-23)15(16,17)18/h2-3,5,11-13,21H,4,6-10H2,1H3/t11-,13-/m0/s1
InChIKeyQZUFYPSKSJVTOM-AAEUAGOBSA-N
MW409.43 g/mol
LogP0.65
Rot. Bonds6

About N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide

N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide (PubChem CID 174324844) has the molecular formula C15H22F3N5O3S and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide
PubChem CID174324844
Molecular FormulaC15H22F3N5O3S
Molecular Weight409.43 g/mol
Exact Mass409.14
IUPAC NameN-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N5O3S/c1-26-10-11-7-22(14-3-2-5-19-20-14)6-4-13(11)21-27(24,25)23-8-12(9-23)15(16,17)18/h2-3,5,11-13,21H,4,6-10H2,1H3/t11-,13-/m0/s1
InChIKeyQZUFYPSKSJVTOM-AAEUAGOBSA-N
XLogP0.65
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide?
The IUPAC name of N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide (CID 174324844) is N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide?
The canonical SMILES for N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide is COC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(C(F)(F)F)C1.
What is the InChIKey of N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide?
The InChIKey is QZUFYPSKSJVTOM-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H22F3N5O3S/c1-26-10-11-7-22(14-3-2-5-19-20-14)6-4-13(11)21-27(24,25)23-8-12(9-23)15(16,17)18/h2-3,5,11-13,21H,4,6-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide?
N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide has a molecular weight of 409.43 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]-3-(trifluoromethyl)azetidine-1-sulfonamide is sourced from PubChem (CID 174324844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).