8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

C12H19N3O4S — CID 3636534

IUPAC8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19N3O4S/c1-9-11(10(2)14-13-9)20(16,17)15-5-3-12(4-6-15)18-7-8-19-12/h3-8H2,1-2H3,(H,13,14)
InChIKeyONUGWMKMXPTOQC-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.55
Rot. Bonds2

About 8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 3636534) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID3636534
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19N3O4S/c1-9-11(10(2)14-13-9)20(16,17)15-5-3-12(4-6-15)18-7-8-19-12/h3-8H2,1-2H3,(H,13,14)
InChIKeyONUGWMKMXPTOQC-UHFFFAOYSA-N
XLogP0.55
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine
CID 3245583
1-(3,5-Dimethyl-1H-pyrazole-4-sulfonyl)piperidine
CID 4564826
8-(1,3,5-Trimethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772867
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine;hydrochloride
CID 16249398
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 16767831
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine
CID 24262642
(2S,6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 29889150
[(2S)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine
CID 42252971
[(2R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine
CID 42252973
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine
CID 43091264
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine
CID 43216603
3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 43236436

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 3636534) is 8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ONUGWMKMXPTOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9-11(10(2)14-13-9)20(16,17)15-5-3-12(4-6-15)18-7-8-19-12/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 301.37 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 3636534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).