3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide

C12H21N5O3S — CID 106081806

IUPAC3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)Nc2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H21N5O3S/c1-2-13-8-10-4-3-7-17(9-10)21(19,20)16-11-5-6-12(18)15-14-11/h5-6,10,13H,2-4,7-9H2,1H3,(H,14,16)(H,15,18)
InChIKeyNKVCCQXBDLNFTL-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.25
Rot. Bonds6

About 3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide

3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide (PubChem CID 106081806) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide
PubChem CID106081806
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)Nc2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H21N5O3S/c1-2-13-8-10-4-3-7-17(9-10)21(19,20)16-11-5-6-12(18)15-14-11/h5-6,10,13H,2-4,7-9H2,1H3,(H,14,16)(H,15,18)
InChIKeyNKVCCQXBDLNFTL-UHFFFAOYSA-N
XLogP-0.25
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide (CID 106081806) is 3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide is CCNCC1CCCN(S(=O)(=O)Nc2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide?
The InChIKey is NKVCCQXBDLNFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-2-13-8-10-4-3-7-17(9-10)21(19,20)16-11-5-6-12(18)15-14-11/h5-6,10,13H,2-4,7-9H2,1H3,(H,14,16)(H,15,18).
What are the key properties of 3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide?
3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106081806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).