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

C16H21N3O3S2 — CID 95092794

IUPAC2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one
SMILESCCn1nc(-c2csc(S(=O)(=O)N3CCCC[C@@H]3C)c2)ccc1=O
InChIInChI=1S/C16H21N3O3S2/c1-3-18-15(20)8-7-14(17-18)13-10-16(23-11-13)24(21,22)19-9-5-4-6-12(19)2/h7-8,10-12H,3-6,9H2,1-2H3/t12-/m0/s1
InChIKeyCGOSAYGCCCITTG-LBPRGKRZSA-N
MW367.50 g/mol
LogP2.55
Rot. Bonds4

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

2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one (PubChem CID 95092794) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one
PubChem CID95092794
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one
SMILESCCn1nc(-c2csc(S(=O)(=O)N3CCCC[C@@H]3C)c2)ccc1=O
InChIInChI=1S/C16H21N3O3S2/c1-3-18-15(20)8-7-14(17-18)13-10-16(23-11-13)24(21,22)19-9-5-4-6-12(19)2/h7-8,10-12H,3-6,9H2,1-2H3/t12-/m0/s1
InChIKeyCGOSAYGCCCITTG-LBPRGKRZSA-N
XLogP2.55
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one
CID 95092750
2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53127217
2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
CID 60814183
N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
CID 118362933
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
3-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyridazin-6-one
CID 23611824
1-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 119055284
5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
CID 70729430
[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine
CID 26585324
2-(2-methylpiperidin-1-yl)sulfonylanthracene-9,10-dione
CID 3801619
2-ethoxy-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyridine
CID 97348801

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one?
The IUPAC name of 2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one (CID 95092794) is 2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one is CCn1nc(-c2csc(S(=O)(=O)N3CCCC[C@@H]3C)c2)ccc1=O.
What is the InChIKey of 2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one?
The InChIKey is CGOSAYGCCCITTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-3-18-15(20)8-7-14(17-18)13-10-16(23-11-13)24(21,22)19-9-5-4-6-12(19)2/h7-8,10-12H,3-6,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one?
2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one has a molecular weight of 367.50 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one is sourced from PubChem (CID 95092794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).