N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine

C14H18N4O3S — CID 131960943

IUPACN-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3cccnn3)CC2)o1
InChIInChI=1S/C14H18N4O3S/c1-11-4-5-14(21-11)22(19,20)18-9-6-12(7-10-18)16-13-3-2-8-15-17-13/h2-5,8,12H,6-7,9-10H2,1H3,(H,16,17)
InChIKeyYNWUAVAKMABTHD-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.64
Rot. Bonds4

About N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine

N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine (PubChem CID 131960943) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine
PubChem CID131960943
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3cccnn3)CC2)o1
InChIInChI=1S/C14H18N4O3S/c1-11-4-5-14(21-11)22(19,20)18-9-6-12(7-10-18)16-13-3-2-8-15-17-13/h2-5,8,12H,6-7,9-10H2,1H3,(H,16,17)
InChIKeyYNWUAVAKMABTHD-UHFFFAOYSA-N
XLogP1.64
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentylpyridazin-3-amine
CID 62482227
(2-chloro-4-methylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 136536011
4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
CID 106084219
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 56778514
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133294840
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
(2S)-2-(2,5-dimethylpyrrol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95331691
2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95350486
3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503792
3-(4-methylpiperidin-1-yl)sulfonylpyridazine
CID 170387335
(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95601742

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine (CID 131960943) is N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine is Cc1ccc(S(=O)(=O)N2CCC(Nc3cccnn3)CC2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine?
The InChIKey is YNWUAVAKMABTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-11-4-5-14(21-11)22(19,20)18-9-6-12(7-10-18)16-13-3-2-8-15-17-13/h2-5,8,12H,6-7,9-10H2,1H3,(H,16,17).
What are the key properties of N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine?
N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine has a molecular weight of 322.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine is sourced from PubChem (CID 131960943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).