8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C15H19N3O4S2 — CID 20947472

IUPAC8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)s2)n[nH]1
InChIInChI=1S/C15H19N3O4S2/c1-11-10-12(17-16-11)13-2-3-14(23-13)24(19,20)18-6-4-15(5-7-18)21-8-9-22-15/h2-3,10H,4-9H2,1H3,(H,16,17)
InChIKeyHWAVLVKZGHETSG-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.97
Rot. Bonds3

About 8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 20947472) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID20947472
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Name8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)s2)n[nH]1
InChIInChI=1S/C15H19N3O4S2/c1-11-10-12(17-16-11)13-2-3-14(23-13)24(19,20)18-6-4-15(5-7-18)21-8-9-22-15/h2-3,10H,4-9H2,1H3,(H,16,17)
InChIKeyHWAVLVKZGHETSG-UHFFFAOYSA-N
XLogP1.97
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 20947472) is 8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)s2)n[nH]1.
What is the InChIKey of 8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HWAVLVKZGHETSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-11-10-12(17-16-11)13-2-3-14(23-13)24(19,20)18-6-4-15(5-7-18)21-8-9-22-15/h2-3,10H,4-9H2,1H3,(H,16,17).
What are the key properties of 8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 369.47 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 20947472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).