8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C14H23N3O4S — CID 42282327

IUPAC8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1nn(C(C)C)cc1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23N3O4S/c1-11(2)17-10-13(12(3)15-17)22(18,19)16-6-4-14(5-7-16)20-8-9-21-14/h10-11H,4-9H2,1-3H3
InChIKeyNBWYDLLHTVCAML-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.30
Rot. Bonds3

About 8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 42282327) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID42282327
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1nn(C(C)C)cc1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23N3O4S/c1-11(2)17-10-13(12(3)15-17)22(18,19)16-6-4-14(5-7-16)20-8-9-21-14/h10-11H,4-9H2,1-3H3
InChIKeyNBWYDLLHTVCAML-UHFFFAOYSA-N
XLogP1.30
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 42282327) is 8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is Cc1nn(C(C)C)cc1S(=O)(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is NBWYDLLHTVCAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-11(2)17-10-13(12(3)15-17)22(18,19)16-6-4-14(5-7-16)20-8-9-21-14/h10-11H,4-9H2,1-3H3.
What are the key properties of 8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 329.42 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 42282327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).