4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one

C14H22N2O2S — CID 106381008

IUPAC4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCC3(CCCCC3)O2)cs1
InChIInChI=1S/C14H22N2O2S/c17-13-16-11(10-19-13)8-15-9-12-4-7-14(18-12)5-2-1-3-6-14/h10,12,15H,1-9H2,(H,16,17)
InChIKeyMYPRYKUUTUBGQJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.41
Rot. Bonds4

About 4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one

4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381008) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381008
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCC3(CCCCC3)O2)cs1
InChIInChI=1S/C14H22N2O2S/c17-13-16-11(10-19-13)8-15-9-12-4-7-14(18-12)5-2-1-3-6-14/h10,12,15H,1-9H2,(H,16,17)
InChIKeyMYPRYKUUTUBGQJ-UHFFFAOYSA-N
XLogP2.41
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106381008) is 4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2CCC3(CCCCC3)O2)cs1.
What is the InChIKey of 4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MYPRYKUUTUBGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c17-13-16-11(10-19-13)8-15-9-12-4-7-14(18-12)5-2-1-3-6-14/h10,12,15H,1-9H2,(H,16,17).
What are the key properties of 4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 282.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).