6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine

C11H19N5O4S — CID 60959166

IUPAC6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine
SMILESNS(=O)(=O)NCC1CCCN(C(=O)C2=NNC(=O)CC2)C1
InChIInChI=1S/C11H19N5O4S/c12-21(19,20)13-6-8-2-1-5-16(7-8)11(18)9-3-4-10(17)15-14-9/h8,13H,1-7H2,(H,15,17)(H2,12,19,20)
InChIKeyAGUGJGKVHBEOLM-UHFFFAOYSA-N
MW317.37 g/mol
LogP-1.72
Rot. Bonds4

About 6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine

6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine (PubChem CID 60959166) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine.

Molecular Properties

Compound Name6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine
PubChem CID60959166
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC Name6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine
SMILESNS(=O)(=O)NCC1CCCN(C(=O)C2=NNC(=O)CC2)C1
InChIInChI=1S/C11H19N5O4S/c12-21(19,20)13-6-8-2-1-5-16(7-8)11(18)9-3-4-10(17)15-14-9/h8,13H,1-7H2,(H,15,17)(H2,12,19,20)
InChIKeyAGUGJGKVHBEOLM-UHFFFAOYSA-N
XLogP-1.72
TPSA133.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-5-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-1H-pyrazine
CID 61130865
1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-3-carboxamide
CID 43397906
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 60655820
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 80534447
1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine
CID 107992574
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine
CID 78999103
1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 64722138
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
1-[2-methyl-2-(methylamino)propanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 62846901
1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62727034

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine?
The IUPAC name of 6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine (CID 60959166) is 6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine.
What is the SMILES notation for 6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine?
The canonical SMILES for 6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine is NS(=O)(=O)NCC1CCCN(C(=O)C2=NNC(=O)CC2)C1.
What is the InChIKey of 6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine?
The InChIKey is AGUGJGKVHBEOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c12-21(19,20)13-6-8-2-1-5-16(7-8)11(18)9-3-4-10(17)15-14-9/h8,13H,1-7H2,(H,15,17)(H2,12,19,20).
What are the key properties of 6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine?
6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine has a molecular weight of 317.37 g/mol, XLogP of -1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine is sourced from PubChem (CID 60959166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).