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

C14H22FN5O3S — CID 174326130

IUPAC3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(F)C1
InChIInChI=1S/C14H22FN5O3S/c1-23-10-11-7-19(14-3-2-5-16-17-14)6-4-13(11)18-24(21,22)20-8-12(15)9-20/h2-3,5,11-13,18H,4,6-10H2,1H3/t11-,13-/m0/s1
InChIKeyQIKPBTKFNAYQHB-AAEUAGOBSA-N
MW359.43 g/mol
LogP-0.19
Rot. Bonds6

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

3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide (PubChem CID 174326130) has the molecular formula C14H22FN5O3S and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
PubChem CID174326130
Molecular FormulaC14H22FN5O3S
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(F)C1
InChIInChI=1S/C14H22FN5O3S/c1-23-10-11-7-19(14-3-2-5-16-17-14)6-4-13(11)18-24(21,22)20-8-12(15)9-20/h2-3,5,11-13,18H,4,6-10H2,1H3/t11-,13-/m0/s1
InChIKeyQIKPBTKFNAYQHB-AAEUAGOBSA-N
XLogP-0.19
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
The IUPAC name of 3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide (CID 174326130) is 3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide is COC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(F)C1.
What is the InChIKey of 3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
The InChIKey is QIKPBTKFNAYQHB-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H22FN5O3S/c1-23-10-11-7-19(14-3-2-5-16-17-14)6-4-13(11)18-24(21,22)20-8-12(15)9-20/h2-3,5,11-13,18H,4,6-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of 3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide has a molecular weight of 359.43 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide is sourced from PubChem (CID 174326130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).