2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole

C11H17N3O2S2 — CID 129269723

IUPAC2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2C3CCC2CN(C)C3)s1
InChIInChI=1S/C11H17N3O2S2/c1-8-12-5-11(17-8)18(15,16)14-9-3-4-10(14)7-13(2)6-9/h5,9-10H,3-4,6-7H2,1-2H3
InChIKeyBSBNHSFQFKHEIE-UHFFFAOYSA-N
MW287.41 g/mol
LogP0.92
Rot. Bonds2

About 2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole

2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole (PubChem CID 129269723) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole
PubChem CID129269723
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2C3CCC2CN(C)C3)s1
InChIInChI=1S/C11H17N3O2S2/c1-8-12-5-11(17-8)18(15,16)14-9-3-4-10(14)7-13(2)6-9/h5,9-10H,3-4,6-7H2,1-2H3
InChIKeyBSBNHSFQFKHEIE-UHFFFAOYSA-N
XLogP0.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole (CID 129269723) is 2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole is Cc1ncc(S(=O)(=O)N2C3CCC2CN(C)C3)s1.
What is the InChIKey of 2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole?
The InChIKey is BSBNHSFQFKHEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-8-12-5-11(17-8)18(15,16)14-9-3-4-10(14)7-13(2)6-9/h5,9-10H,3-4,6-7H2,1-2H3.
What are the key properties of 2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole?
2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole has a molecular weight of 287.41 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)sulfonyl]-1,3-thiazole is sourced from PubChem (CID 129269723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).