8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C12H19N3O4S — CID 6469930

IUPAC8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCn1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C12H19N3O4S/c1-2-14-10-11(9-13-14)20(16,17)15-5-3-12(4-6-15)18-7-8-19-12/h9-10H,2-8H2,1H3
InChIKeyAWPJZXFCKLANQT-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.43
Rot. Bonds3

About 8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 6469930) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID6469930
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCn1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C12H19N3O4S/c1-2-14-10-11(9-13-14)20(16,17)15-5-3-12(4-6-15)18-7-8-19-12/h9-10H,2-8H2,1H3
InChIKeyAWPJZXFCKLANQT-UHFFFAOYSA-N
XLogP0.43
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 71806933
4-(2-ethoxyethoxy)-1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 91907801
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-methoxyethoxy)piperidine
CID 91918302
2-(Methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine
CID 167905281
[1-(1-Methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate
CID 174231771
8-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467132
8-(1-Ethyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772868
8-(1-Ethyl-5-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772869
8-(1,5-Dimethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772870
8-(3-Methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 42282327
8-(1-Cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 42282612
1-(1-Methylpyrazol-4-yl)sulfonylpiperidin-4-ol
CID 43502813

Frequently Asked Questions

What is the IUPAC name of 8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 6469930) is 8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is CCn1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of 8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is AWPJZXFCKLANQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-2-14-10-11(9-13-14)20(16,17)15-5-3-12(4-6-15)18-7-8-19-12/h9-10H,2-8H2,1H3.
What are the key properties of 8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 301.37 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 6469930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).