3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one

C14H17N3O3S2 — CID 95092750

IUPAC3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one
SMILESC[C@H]1CCCCN1S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1
InChIInChI=1S/C14H17N3O3S2/c1-10-4-2-3-7-17(10)22(19,20)14-8-11(9-21-14)12-5-6-13(18)16-15-12/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyMTCXBKGHEVSAHU-JTQLQIEISA-N
MW339.44 g/mol
LogP2.06
Rot. Bonds3

About 3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one

3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one (PubChem CID 95092750) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one
PubChem CID95092750
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one
SMILESC[C@H]1CCCCN1S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1
InChIInChI=1S/C14H17N3O3S2/c1-10-4-2-3-7-17(10)22(19,20)14-8-11(9-21-14)12-5-6-13(18)16-15-12/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyMTCXBKGHEVSAHU-JTQLQIEISA-N
XLogP2.06
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one
CID 95092794
3-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyridazin-6-one
CID 23611824
3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one
CID 53134895
N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135082
5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 8778115
2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53127217
N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134876
7-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 94602506
N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134936
5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
CID 70729430
2-(2-methylpiperidin-1-yl)sulfonylanthracene-9,10-dione
CID 3801619
3-[4-bromo-3-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1H-pyridazin-6-one
CID 95706261

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one (CID 95092750) is 3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one is C[C@H]1CCCCN1S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1.
What is the InChIKey of 3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one?
The InChIKey is MTCXBKGHEVSAHU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-10-4-2-3-7-17(10)22(19,20)14-8-11(9-21-14)12-5-6-13(18)16-15-12/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one?
3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one has a molecular weight of 339.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 95092750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).