2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane

C13H21ClN4O2S — CID 56708135

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(CCNCC2)C1
InChIInChI=1S/C13H21ClN4O2S/c1-10-11(12(14)17(2)16-10)21(19,20)18-8-5-13(9-18)3-6-15-7-4-13/h15H,3-9H2,1-2H3
InChIKeyWPXAALJXIQMWIB-UHFFFAOYSA-N
MW332.86 g/mol
LogP1.15
Rot. Bonds2

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane

2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 56708135) has the molecular formula C13H21ClN4O2S and a molecular weight of 332.86 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID56708135
Molecular FormulaC13H21ClN4O2S
Molecular Weight332.86 g/mol
Exact Mass332.11
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(CCNCC2)C1
InChIInChI=1S/C13H21ClN4O2S/c1-10-11(12(14)17(2)16-10)21(19,20)18-8-5-13(9-18)3-6-15-7-4-13/h15H,3-9H2,1-2H3
InChIKeyWPXAALJXIQMWIB-UHFFFAOYSA-N
XLogP1.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane (CID 56708135) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(CCNCC2)C1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is WPXAALJXIQMWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2S/c1-10-11(12(14)17(2)16-10)21(19,20)18-8-5-13(9-18)3-6-15-7-4-13/h15H,3-9H2,1-2H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 332.86 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56708135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).