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

C20H21N3O4S2 — CID 42351890

IUPAC8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H21N3O4S2/c24-29(25,22-10-8-20(9-11-22)26-12-13-27-20)18-15-23(16-5-2-1-3-6-16)21-19(18)17-7-4-14-28-17/h1-7,14-15H,8-13H2
InChIKeySCZFNHGOPDGIRD-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.13
Rot. Bonds4

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

8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 42351890) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID42351890
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H21N3O4S2/c24-29(25,22-10-8-20(9-11-22)26-12-13-27-20)18-15-23(16-5-2-1-3-6-16)21-19(18)17-7-4-14-28-17/h1-7,14-15H,8-13H2
InChIKeySCZFNHGOPDGIRD-UHFFFAOYSA-N
XLogP3.13
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(1-phenyl-3-thiophen-2-ylpyrazol-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

Related Compounds

4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 42351856
1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 42352164
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-2-carboxylic acid
CID 112726209
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285475
N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351821
1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855696
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine
CID 4083943
N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351837
4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
CID 42283183
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42349000
N-(2,5-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352236

Frequently Asked Questions

What is the IUPAC name of 8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 42351890) is 8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is SCZFNHGOPDGIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c24-29(25,22-10-8-20(9-11-22)26-12-13-27-20)18-15-23(16-5-2-1-3-6-16)21-19(18)17-7-4-14-28-17/h1-7,14-15H,8-13H2.
What are the key properties of 8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 431.54 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 42351890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).