8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane

C15H18ClN3O2S2 — CID 154583813

IUPAC8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCc1cnn(C2CC3CCC(C2)N3S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H18ClN3O2S2/c1-10-8-17-18(9-10)13-6-11-2-3-12(7-13)19(11)23(20,21)15-5-4-14(16)22-15/h4-5,8-9,11-13H,2-3,6-7H2,1H3
InChIKeyZJCRCLJHIOWBFI-UHFFFAOYSA-N
MW371.92 g/mol
LogP3.46
Rot. Bonds3

About 8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane

8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 154583813) has the molecular formula C15H18ClN3O2S2 and a molecular weight of 371.92 g/mol. Its IUPAC name is 8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
PubChem CID154583813
Molecular FormulaC15H18ClN3O2S2
Molecular Weight371.92 g/mol
Exact Mass371.05
IUPAC Name8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCc1cnn(C2CC3CCC(C2)N3S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H18ClN3O2S2/c1-10-8-17-18(9-10)13-6-11-2-3-12(7-13)19(11)23(20,21)15-5-4-14(16)22-15/h4-5,8-9,11-13H,2-3,6-7H2,1H3
InChIKeyZJCRCLJHIOWBFI-UHFFFAOYSA-N
XLogP3.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane 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

8-[(2-chlorophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
CID 154831363
3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole
CID 154884055
3-(4-methylpyrazol-1-yl)-8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 154854416
3-(benzenesulfonyl)-8-(5-chlorothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 90591603
1-(3-fluorocyclopentyl)-4-methylpyrazole
CID 84731747
1-cyclobutyl-4-methylpyrazole;ethane;methanol
CID 162747933
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole
CID 22200738
ethyl (1R,2R,4S)-7-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 146038955
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186718
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684812

Frequently Asked Questions

What is the IUPAC name of 8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane (CID 154583813) is 8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane is Cc1cnn(C2CC3CCC(C2)N3S(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is ZJCRCLJHIOWBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S2/c1-10-8-17-18(9-10)13-6-11-2-3-12(7-13)19(11)23(20,21)15-5-4-14(16)22-15/h4-5,8-9,11-13H,2-3,6-7H2,1H3.
What are the key properties of 8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane?
8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 371.92 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 154583813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).