N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride

C10H15FN4O3S — CID 174325398

IUPACN-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride
SMILESO=S(=O)(F)NC1CCN(c2cccnn2)CC1CO
InChIInChI=1S/C10H15FN4O3S/c11-19(17,18)14-9-3-5-15(6-8(9)7-16)10-2-1-4-12-13-10/h1-2,4,8-9,14,16H,3,5-7H2
InChIKeyMTGGKJNVBUWZBU-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.53
Rot. Bonds4

About N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride

N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride (PubChem CID 174325398) has the molecular formula C10H15FN4O3S and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride
PubChem CID174325398
Molecular FormulaC10H15FN4O3S
Molecular Weight290.32 g/mol
Exact Mass290.08
IUPAC NameN-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride
SMILESO=S(=O)(F)NC1CCN(c2cccnn2)CC1CO
InChIInChI=1S/C10H15FN4O3S/c11-19(17,18)14-9-3-5-15(6-8(9)7-16)10-2-1-4-12-13-10/h1-2,4,8-9,14,16H,3,5-7H2
InChIKeyMTGGKJNVBUWZBU-UHFFFAOYSA-N
XLogP-0.53
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride?
The IUPAC name of N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride (CID 174325398) is N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride.
What is the SMILES notation for N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride?
The canonical SMILES for N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride is O=S(=O)(F)NC1CCN(c2cccnn2)CC1CO.
What is the InChIKey of N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride?
The InChIKey is MTGGKJNVBUWZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O3S/c11-19(17,18)14-9-3-5-15(6-8(9)7-16)10-2-1-4-12-13-10/h1-2,4,8-9,14,16H,3,5-7H2.
What are the key properties of N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride?
N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride has a molecular weight of 290.32 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]sulfamoyl fluoride is sourced from PubChem (CID 174325398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).