8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane

C18H30N4O2S — CID 176549387

IUPAC8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCCn1nccc1S(=O)(=O)N1C2CCC1CC(N1CCC(C)CC1)C2
InChIInChI=1S/C18H30N4O2S/c1-3-21-18(6-9-19-21)25(23,24)22-15-4-5-16(22)13-17(12-15)20-10-7-14(2)8-11-20/h6,9,14-17H,3-5,7-8,10-13H2,1-2H3
InChIKeyUXWUQBVQNWUWTD-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.32
Rot. Bonds4

About 8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane

8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 176549387) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane
PubChem CID176549387
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCCn1nccc1S(=O)(=O)N1C2CCC1CC(N1CCC(C)CC1)C2
InChIInChI=1S/C18H30N4O2S/c1-3-21-18(6-9-19-21)25(23,24)22-15-4-5-16(22)13-17(12-15)20-10-7-14(2)8-11-20/h6,9,14-17H,3-5,7-8,10-13H2,1-2H3
InChIKeyUXWUQBVQNWUWTD-UHFFFAOYSA-N
XLogP2.32
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane (CID 176549387) is 8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane is CCn1nccc1S(=O)(=O)N1C2CCC1CC(N1CCC(C)CC1)C2.
What is the InChIKey of 8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is UXWUQBVQNWUWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-3-21-18(6-9-19-21)25(23,24)22-15-4-5-16(22)13-17(12-15)20-10-7-14(2)8-11-20/h6,9,14-17H,3-5,7-8,10-13H2,1-2H3.
What are the key properties of 8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane?
8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 366.53 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylpyrazol-3-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 176549387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).