5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane

C17H26N4O2S — CID 133480963

IUPAC5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCCC4(CC4)C3)nc2)CC1
InChIInChI=1S/C17H26N4O2S/c1-19-9-11-21(12-10-19)24(22,23)15-3-4-16(18-13-15)20-8-2-5-17(14-20)6-7-17/h3-4,13H,2,5-12,14H2,1H3
InChIKeyPSOQETUMGPDIIL-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.40
Rot. Bonds3

About 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane

5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane (PubChem CID 133480963) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane
PubChem CID133480963
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCCC4(CC4)C3)nc2)CC1
InChIInChI=1S/C17H26N4O2S/c1-19-9-11-21(12-10-19)24(22,23)15-3-4-16(18-13-15)20-8-2-5-17(14-20)6-7-17/h3-4,13H,2,5-12,14H2,1H3
InChIKeyPSOQETUMGPDIIL-UHFFFAOYSA-N
XLogP1.40
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane?
The IUPAC name of 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane (CID 133480963) is 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane.
What is the SMILES notation for 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane?
The canonical SMILES for 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane is CN1CCN(S(=O)(=O)c2ccc(N3CCCC4(CC4)C3)nc2)CC1.
What is the InChIKey of 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane?
The InChIKey is PSOQETUMGPDIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-19-9-11-21(12-10-19)24(22,23)15-3-4-16(18-13-15)20-8-2-5-17(14-20)6-7-17/h3-4,13H,2,5-12,14H2,1H3.
What are the key properties of 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane?
5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane has a molecular weight of 350.49 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane is sourced from PubChem (CID 133480963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).