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

C15H18N2O5S2 — CID 53079510

IUPAC8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H18N2O5S2/c1-11-14(10-13(23-11)12-2-5-16-22-12)24(18,19)17-6-3-15(4-7-17)20-8-9-21-15/h2,5,10H,3-4,6-9H2,1H3
InChIKeyWCTMLUCDCKDSHI-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.24
Rot. Bonds3

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

8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 53079510) has the molecular formula C15H18N2O5S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID53079510
Molecular FormulaC15H18N2O5S2
Molecular Weight370.45 g/mol
Exact Mass370.07
IUPAC Name8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H18N2O5S2/c1-11-14(10-13(23-11)12-2-5-16-22-12)24(18,19)17-6-3-15(4-7-17)20-8-9-21-15/h2,5,10H,3-4,6-9H2,1H3
InChIKeyWCTMLUCDCKDSHI-UHFFFAOYSA-N
XLogP2.24
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 53079510) is 8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is WCTMLUCDCKDSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S2/c1-11-14(10-13(23-11)12-2-5-16-22-12)24(18,19)17-6-3-15(4-7-17)20-8-9-21-15/h2,5,10H,3-4,6-9H2,1H3.
What are the key properties of 8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 370.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 53079510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).