3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine

C14H24FN5O3S — CID 174325147

IUPAC3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine
SMILESCOCC1CN(c2cccnn2)CCC1NS(=O)(=O)N(C)CCF
InChIInChI=1S/C14H24FN5O3S/c1-19(9-6-15)24(21,22)18-13-5-8-20(10-12(13)11-23-2)14-4-3-7-16-17-14/h3-4,7,12-13,18H,5-6,8-11H2,1-2H3
InChIKeyJSTCRLYSMQVKCF-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.05
Rot. Bonds8

About 3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine

3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine (PubChem CID 174325147) has the molecular formula C14H24FN5O3S and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine
PubChem CID174325147
Molecular FormulaC14H24FN5O3S
Molecular Weight361.44 g/mol
Exact Mass361.16
IUPAC Name3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine
SMILESCOCC1CN(c2cccnn2)CCC1NS(=O)(=O)N(C)CCF
InChIInChI=1S/C14H24FN5O3S/c1-19(9-6-15)24(21,22)18-13-5-8-20(10-12(13)11-23-2)14-4-3-7-16-17-14/h3-4,7,12-13,18H,5-6,8-11H2,1-2H3
InChIKeyJSTCRLYSMQVKCF-UHFFFAOYSA-N
XLogP0.05
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine (CID 174325147) is 3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine is COCC1CN(c2cccnn2)CCC1NS(=O)(=O)N(C)CCF.
What is the InChIKey of 3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine?
The InChIKey is JSTCRLYSMQVKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN5O3S/c1-19(9-6-15)24(21,22)18-13-5-8-20(10-12(13)11-23-2)14-4-3-7-16-17-14/h3-4,7,12-13,18H,5-6,8-11H2,1-2H3.
What are the key properties of 3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine?
3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine has a molecular weight of 361.44 g/mol, XLogP of 0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-fluoroethyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 174325147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).