N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride

C12H19FN4O3S — CID 174325482

IUPACN-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride
SMILESCOCC1CN(c2cccnn2)[C@H](C)CC1NS(=O)(=O)F
InChIInChI=1S/C12H19FN4O3S/c1-9-6-11(16-21(13,18)19)10(8-20-2)7-17(9)12-4-3-5-14-15-12/h3-5,9-11,16H,6-8H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyCNNDLMQZLDTQHP-KPPDAEKUSA-N
MW318.37 g/mol
LogP0.51
Rot. Bonds5

About N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride

N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride (PubChem CID 174325482) has the molecular formula C12H19FN4O3S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride.

Molecular Properties

Compound NameN-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride
PubChem CID174325482
Molecular FormulaC12H19FN4O3S
Molecular Weight318.37 g/mol
Exact Mass318.12
IUPAC NameN-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride
SMILESCOCC1CN(c2cccnn2)[C@H](C)CC1NS(=O)(=O)F
InChIInChI=1S/C12H19FN4O3S/c1-9-6-11(16-21(13,18)19)10(8-20-2)7-17(9)12-4-3-5-14-15-12/h3-5,9-11,16H,6-8H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyCNNDLMQZLDTQHP-KPPDAEKUSA-N
XLogP0.51
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride?
The IUPAC name of N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride (CID 174325482) is N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride.
What is the SMILES notation for N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride?
The canonical SMILES for N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride is COCC1CN(c2cccnn2)[C@H](C)CC1NS(=O)(=O)F.
What is the InChIKey of N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride?
The InChIKey is CNNDLMQZLDTQHP-KPPDAEKUSA-N. The full InChI is InChI=1S/C12H19FN4O3S/c1-9-6-11(16-21(13,18)19)10(8-20-2)7-17(9)12-4-3-5-14-15-12/h3-5,9-11,16H,6-8H2,1-2H3/t9-,10?,11?/m1/s1.
What are the key properties of N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride?
N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride has a molecular weight of 318.37 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-(methoxymethyl)-2-methyl-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride is sourced from PubChem (CID 174325482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).