8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane

C14H23N3O3S — CID 155541234

IUPAC8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C14H23N3O3S/c1-11-13(12(2)16(3)15-11)21(18,19)17-8-6-14(7-9-17)5-4-10-20-14/h4-10H2,1-3H3
InChIKeyHVGSMNDWRZKNBQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.37
Rot. Bonds2

About 8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane

8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 155541234) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID155541234
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C14H23N3O3S/c1-11-13(12(2)16(3)15-11)21(18,19)17-8-6-14(7-9-17)5-4-10-20-14/h4-10H2,1-3H3
InChIKeyHVGSMNDWRZKNBQ-UHFFFAOYSA-N
XLogP1.37
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 155541234) is 8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CCCO2)CC1.
What is the InChIKey of 8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is HVGSMNDWRZKNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11-13(12(2)16(3)15-11)21(18,19)17-8-6-14(7-9-17)5-4-10-20-14/h4-10H2,1-3H3.
What are the key properties of 8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 313.42 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 8-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 155541234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).