3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine

C15H25N5O3S — CID 174324752

IUPAC3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N(C)C1CC1
InChIInChI=1S/C15H25N5O3S/c1-19(13-5-6-13)24(21,22)18-14-7-9-20(10-12(14)11-23-2)15-4-3-8-16-17-15/h3-4,8,12-14,18H,5-7,9-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyUKCRRLKTTHUFPL-JSGCOSHPSA-N
MW355.46 g/mol
LogP0.25
Rot. Bonds7

About 3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine

3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine (PubChem CID 174324752) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine
PubChem CID174324752
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N(C)C1CC1
InChIInChI=1S/C15H25N5O3S/c1-19(13-5-6-13)24(21,22)18-14-7-9-20(10-12(14)11-23-2)15-4-3-8-16-17-15/h3-4,8,12-14,18H,5-7,9-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyUKCRRLKTTHUFPL-JSGCOSHPSA-N
XLogP0.25
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 174324844
CID 174324844
CID 174324847
CID 174324847
CID 174324888
CID 174324888
CID 174324889
CID 174324889
CID 174325147
CID 174325147
CID 174325398
CID 174325398
CID 174325482
CID 174325482
CID 174326044
CID 174326044
CID 174326130
CID 174326130
CID 170638704
CID 170638704
CID 174324809
CID 174324809
CID 174324934
CID 174324934

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine (CID 174324752) is 3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine is COC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N(C)C1CC1.
What is the InChIKey of 3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine?
The InChIKey is UKCRRLKTTHUFPL-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-19(13-5-6-13)24(21,22)18-14-7-9-20(10-12(14)11-23-2)15-4-3-8-16-17-15/h3-4,8,12-14,18H,5-7,9-11H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of 3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine?
3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine has a molecular weight of 355.46 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-(methoxymethyl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 174324752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).