6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one

C15H18N2O6S — CID 666056

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc21
InChIInChI=1S/C15H18N2O6S/c1-16-12-3-2-11(10-13(12)23-14(16)18)24(19,20)17-6-4-15(5-7-17)21-8-9-22-15/h2-3,10H,4-9H2,1H3
InChIKeyHEVMLAPKDYFYIR-UHFFFAOYSA-N
MW354.38 g/mol
LogP0.66
Rot. Bonds2

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 666056) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID666056
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc21
InChIInChI=1S/C15H18N2O6S/c1-16-12-3-2-11(10-13(12)23-14(16)18)24(19,20)17-6-4-15(5-7-17)21-8-9-22-15/h2-3,10H,4-9H2,1H3
InChIKeyHEVMLAPKDYFYIR-UHFFFAOYSA-N
XLogP0.66
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one (CID 666056) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc21.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is HEVMLAPKDYFYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S/c1-16-12-3-2-11(10-13(12)23-14(16)18)24(19,20)17-6-4-15(5-7-17)21-8-9-22-15/h2-3,10H,4-9H2,1H3.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 354.38 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 666056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).