8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C16H25N3O4S — CID 42282612

IUPAC8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H25N3O4S/c1-13-15(12-19(17-13)14-4-2-3-5-14)24(20,21)18-8-6-16(7-9-18)22-10-11-23-16/h12,14H,2-11H2,1H3
InChIKeyASQPPTPHMZUHSK-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.83
Rot. Bonds3

About 8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 42282612) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID42282612
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H25N3O4S/c1-13-15(12-19(17-13)14-4-2-3-5-14)24(20,21)18-8-6-16(7-9-18)22-10-11-23-16/h12,14H,2-11H2,1H3
InChIKeyASQPPTPHMZUHSK-UHFFFAOYSA-N
XLogP1.83
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 42282612) is 8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is Cc1nn(C2CCCC2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ASQPPTPHMZUHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13-15(12-19(17-13)14-4-2-3-5-14)24(20,21)18-8-6-16(7-9-18)22-10-11-23-16/h12,14H,2-11H2,1H3.
What are the key properties of 8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 355.46 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 42282612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).