4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane

C15H26N4O2S — CID 126820623

IUPAC4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane
SMILESCc1c(S(=O)(=O)N2CCN(C)C3(CCCCC3)C2)cnn1C
InChIInChI=1S/C15H26N4O2S/c1-13-14(11-16-18(13)3)22(20,21)19-10-9-17(2)15(12-19)7-5-4-6-8-15/h11H,4-10,12H2,1-3H3
InChIKeyZYOIGUKHCPFOEM-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.37
Rot. Bonds2

About 4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane

4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 126820623) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID126820623
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane
SMILESCc1c(S(=O)(=O)N2CCN(C)C3(CCCCC3)C2)cnn1C
InChIInChI=1S/C15H26N4O2S/c1-13-14(11-16-18(13)3)22(20,21)19-10-9-17(2)15(12-19)7-5-4-6-8-15/h11H,4-10,12H2,1-3H3
InChIKeyZYOIGUKHCPFOEM-UHFFFAOYSA-N
XLogP1.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane (CID 126820623) is 4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane is Cc1c(S(=O)(=O)N2CCN(C)C3(CCCCC3)C2)cnn1C.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZYOIGUKHCPFOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-13-14(11-16-18(13)3)22(20,21)19-10-9-17(2)15(12-19)7-5-4-6-8-15/h11H,4-10,12H2,1-3H3.
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane?
4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 326.47 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 126820623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).