2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C14H21ClN4O3S — CID 56741982

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(CCCN(C)C2=O)C1
InChIInChI=1S/C14H21ClN4O3S/c1-10-11(12(15)18(3)16-10)23(21,22)19-8-6-14(9-19)5-4-7-17(2)13(14)20/h4-9H2,1-3H3
InChIKeyJJZFFWCTHZVKMK-UHFFFAOYSA-N
MW360.87 g/mol
LogP1.01
Rot. Bonds2

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56741982) has the molecular formula C14H21ClN4O3S and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56741982
Molecular FormulaC14H21ClN4O3S
Molecular Weight360.87 g/mol
Exact Mass360.10
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(CCCN(C)C2=O)C1
InChIInChI=1S/C14H21ClN4O3S/c1-10-11(12(15)18(3)16-10)23(21,22)19-8-6-14(9-19)5-4-7-17(2)13(14)20/h4-9H2,1-3H3
InChIKeyJJZFFWCTHZVKMK-UHFFFAOYSA-N
XLogP1.01
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 51.01
H-Bond Donors ≤ 50
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-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 56741982) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(CCCN(C)C2=O)C1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JJZFFWCTHZVKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O3S/c1-10-11(12(15)18(3)16-10)23(21,22)19-8-6-14(9-19)5-4-7-17(2)13(14)20/h4-9H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 360.87 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 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-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56741982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).