1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one

C16H24N2O3S — CID 71934166

IUPAC1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCC1(C)COC2(CCN(C(=O)CCc3nccs3)CC2)OC1
InChIInChI=1S/C16H24N2O3S/c1-15(2)11-20-16(21-12-15)5-8-18(9-6-16)14(19)4-3-13-17-7-10-22-13/h7,10H,3-6,8-9,11-12H2,1-2H3
InChIKeyYSCHILDJIWFQLN-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.47
Rot. Bonds3

About 1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one

1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 71934166) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID71934166
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCC1(C)COC2(CCN(C(=O)CCc3nccs3)CC2)OC1
InChIInChI=1S/C16H24N2O3S/c1-15(2)11-20-16(21-12-15)5-8-18(9-6-16)14(19)4-3-13-17-7-10-22-13/h7,10H,3-6,8-9,11-12H2,1-2H3
InChIKeyYSCHILDJIWFQLN-UHFFFAOYSA-N
XLogP2.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one (CID 71934166) is 1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one is CC1(C)COC2(CCN(C(=O)CCc3nccs3)CC2)OC1.
What is the InChIKey of 1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is YSCHILDJIWFQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-15(2)11-20-16(21-12-15)5-8-18(9-6-16)14(19)4-3-13-17-7-10-22-13/h7,10H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of 1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 324.45 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 71934166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).